 Entering Gaussian System, Link 0=g16
 Input=07_transpinane_STD_B3LYPDBJ-augccpVDZr.in
 Output=07_transpinane_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/07_transpinane_STD/Gau-171487.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/07_transpinane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    171488.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=07_transpinane_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 20:36:22 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "07_transpinane_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.528880000000      1.093729000000      0.246966000000
  C                                                -1.321456000000     -0.416759000000      0.534617000000
  C                                                -0.251555000000      1.852797000000     -0.188359000000
  C                                                 0.770710000000      0.903021000000     -0.813047000000
  C                                                 1.207111000000     -0.195282000000      0.209826000000
  C                                                -0.097064000000     -0.937248000000     -0.228322000000
  C                                                 0.020234000000     -0.208022000000     -1.592788000000
  H                                                -1.986528000000      1.578225000000      1.111675000000
  C                                                -2.579256000000     -1.209394000000      0.185867000000
  H                                                -1.133681000000     -0.556858000000      1.602321000000
  H                                                 1.569849000000      1.446260000000     -1.321922000000
  C                                                 1.387674000000      0.189094000000      1.672498000000
  C                                                 2.463556000000     -0.935948000000     -0.249050000000
  H                                                -0.064495000000     -2.029648000000     -0.222695000000
  H                                                 0.653697000000     -0.734184000000     -2.301610000000
  H                                                -0.904266000000      0.071251000000     -2.098034000000
  H                                                 0.543396000000      0.733850000000      2.089372000000
  H                                                 2.274733000000      0.817174000000      1.790633000000
  H                                                 1.536666000000     -0.704580000000      2.284391000000
  H                                                 2.414606000000     -1.247642000000     -1.291582000000
  H                                                 2.620603000000     -1.831637000000      0.357494000000
  H                                                 3.344630000000     -0.299271000000     -0.134439000000
  H                                                -2.262427000000      1.175948000000     -0.557656000000
  H                                                -0.525798000000      2.622427000000     -0.914283000000
  H                                                 0.202587000000      2.377960000000      0.654229000000
  H                                                -2.781972000000     -1.167070000000     -0.887575000000
  H                                                -3.453499000000     -0.808443000000      0.704109000000
  H                                                -2.474549000000     -2.259702000000      0.466325000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     28 NQM=       28 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28
 IAtWgt=           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul  9 20:36:22 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.551561   0.000000
     3  C    1.548306   2.611181   0.000000
     4  C    2.539313   2.816944   1.528835   0.000000
     5  C    3.024661   2.558944   2.545758   1.563005   0.000000
     6  C    2.529993   1.533662   2.794605   2.116961   1.563125
     7  C    2.734777   2.523798   2.508638   1.551008   2.158299
     8  H    1.091742   2.180660   2.185317   3.429696   3.762710
     9  C    2.532074   1.527075   3.864615   4.084409   3.919894
    10  H    2.172005   1.093105   3.129076   3.404696   2.747560
    11  H    3.491104   3.908609   2.183518   1.092101   2.274311
    12  C    3.369984   3.000203   2.986263   2.658622   1.523075
    13  C    4.506125   3.900001   3.892635   2.562348   1.528989
    14  H    3.481449   2.180570   3.887100   3.105902   2.273534
    15  H    3.821014   3.470760   3.460893   2.215841   2.627545
    16  H    2.633368   2.709807   2.691987   2.269048   3.139295
    17  H    2.796122   2.686789   2.659332   2.916218   2.199204
    18  H    4.114227   4.004091   3.372100   3.008090   2.159591
    19  H    4.096656   3.363541   3.981508   3.572841   2.161437
    20  H    4.837378   4.240699   4.235356   2.748953   2.195389
    21  H    5.078208   4.192026   4.703435   3.502945   2.167354
    22  H    5.083013   4.715273   4.191283   2.920801   2.167561
    23  H    1.091910   2.148302   2.153627   3.056081   3.808805
    24  H    2.166008   3.459629   1.092934   2.155815   3.493720
    25  H    2.193876   3.185509   1.091786   2.156643   2.797881
    26  H    2.822877   2.172258   4.001438   4.112466   4.249876
    27  H    2.744339   2.174339   4.258068   4.803625   4.726687
    28  H    3.491118   2.175023   4.720483   4.708643   4.228740
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.551547   0.000000
     8  H    3.419542   3.812072   0.000000
     9  C    2.531184   3.305103   2.996542   0.000000
    10  H    2.137879   3.414957   2.350885   2.126460   0.000000
    11  H    3.107357   2.282832   4.311337   5.151796   4.457887
    12  C    2.661994   3.562259   3.691808   4.461208   2.630323
    13  C    2.560704   2.881897   5.289224   5.068913   4.063422
    14  H    1.092900   2.280933   4.300175   2.676521   2.577393
    15  H    2.214362   1.086531   4.895767   4.106745   4.297306
    16  H    2.272547   1.089939   3.707357   3.108351   3.760290
    17  H    2.928218   3.836551   2.840665   4.141314   2.171574
    18  H    3.574856   4.193010   4.381612   5.499406   3.679771
    19  H    3.006149   4.192690   4.358825   4.647521   2.760035
    20  H    2.745060   2.627651   5.755966   5.207972   4.630572
    21  H    2.920415   3.633407   5.781142   5.239769   4.155635
    22  H    3.501583   3.631352   5.787835   6.001945   4.810193
    23  H    3.043494   2.863112   1.739141   2.518544   2.990349
    24  H    3.650430   2.961412   2.707138   4.484403   4.100082
    25  H    3.443732   3.430691   2.375091   4.563674   3.361197
    26  H    2.774196   3.044578   3.488033   1.093235   3.047754
    27  H    3.485925   4.207501   2.830954   1.092537   2.500327
    28  H    2.807820   3.830572   3.922286   1.092139   2.447058
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.252723   0.000000
    13  C    2.761283   2.472972   0.000000
    14  H    3.995162   3.259351   2.754617   0.000000
    15  H    2.559972   4.145443   2.743957   2.552629   0.000000
    16  H    2.935003   4.414044   3.971828   2.938688   1.765621
    17  H    3.632914   1.087818   3.455931   3.654053   4.631200
    18  H    3.252785   1.093304   2.696182   4.198794   4.667004
    19  H    4.199132   1.093282   2.707578   3.256532   4.670323
    20  H    2.823410   3.450300   1.089230   2.810693   2.093943
    21  H    3.830030   2.707896   1.093077   2.754193   3.484818
    22  H    2.758050   2.707988   1.093062   3.824150   3.482370
    23  H    3.917079   4.389841   5.185582   3.901147   3.897917
    24  H    2.437473   4.034095   4.694764   4.725769   3.818733
    25  H    2.577333   2.689319   4.112162   4.501926   4.315776
    26  H    5.094752   5.077313   5.289300   2.927591   3.740415
    27  H    5.867070   5.036846   5.994690   3.719631   5.090081
    28  H    5.769674   4.729505   5.162264   2.517148   4.446863
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.479858   0.000000
    18  H    5.077811   1.758896   0.000000
    19  H    5.075994   1.758891   1.761895   0.000000
    20  H    3.661250   4.342648   3.712557   3.721999   0.000000
    21  H    4.698436   3.727722   3.031454   2.481554   1.761515
    22  H    4.695328   3.722847   2.469217   3.046924   1.761628
    23  H    2.331892   3.882634   5.121426   5.103599   5.318559
    24  H    2.837781   3.705650   4.291676   5.055121   4.875014
    25  H    3.757789   2.208820   2.832182   3.733530   4.671638
    26  H    2.554296   4.851163   6.056425   5.378280   5.212882
    27  H    3.889017   4.502532   6.052752   5.235439   6.213721
    28  H    3.804611   4.550124   5.811767   4.670505   5.293235
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764755   0.000000
    23  H    5.807499   5.813301   0.000000
    24  H    5.599638   4.911689   2.288092   0.000000
    25  H    4.863698   4.202618   2.998298   1.746579   0.000000
    26  H    5.583875   6.233421   2.422500   4.410365   4.883850
    27  H    6.169423   6.868550   2.636003   4.791815   4.850012
    28  H    5.114260   6.169850   3.591270   5.434969   5.358197
                   26         27         28
    26  H    0.000000
    27  H    1.764375   0.000000
    28  H    1.766748   1.766646   0.000000
 Stoichiometry    C10H18
 Framework group  C1[X(C10H18)]
 Deg. of freedom    78
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.82D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9658786           1.1625021           1.0803891
 Leave Link  202 at Fri Jul  9 20:36:22 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     15     16     17     18     19     20
 Centers:      21     22     23     24     25     26     27     28
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 424 were deleted.
 There are   412 symmetry adapted cartesian basis functions of A   symmetry.
 There are   392 symmetry adapted basis functions of A   symmetry.
   392 basis functions,   686 primitive gaussians,   412 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       595.1708560182 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   28 NActive=   28 NUniq=   28 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0517708795 Hartrees.
 Nuclear repulsion after empirical dispersion term =      595.1190851388 Hartrees.
 Leave Link  301 at Fri Jul  9 20:36:24 2021, MaxMem= 17179869184 cpu:              16.7 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   392 RedAO= T EigKep=  1.88D-06  NBF=   392
 NBsUse=   392 1.00D-06 EigRej= -1.00D+00 NBFU=   392
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   412   412   412   412   412 MxSgAt=    28 MxSgA2=    28.
 Leave Link  302 at Fri Jul  9 20:36:24 2021, MaxMem= 17179869184 cpu:               5.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 20:36:25 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "07_transpinane_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 20:36:25 2021, MaxMem= 17179869184 cpu:               5.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179520668 LenY= 17179350483
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -391.967282371552    
 DIIS: error= 1.32D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -391.967282371552     IErMin= 1 ErrMin= 1.32D-03
 ErrMax= 1.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.59D-03 BMatP= 4.59D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.32D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 GapD=    0.295 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.29D-02 MaxDP=6.70D+00              OVMax= 7.55D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.79D-02    CP:  2.08D+00
 E= -391.970917299803     Delta-E=       -0.003634928251 Rises=F Damp=F
 DIIS: error= 1.48D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -391.970917299803     IErMin= 2 ErrMin= 1.48D-04
 ErrMax= 1.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-05 BMatP= 4.59D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.48D-03
 Coeff-Com:  0.253D-02 0.997D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.253D-02 0.997D+00
 Gap=     0.258 Goal=   None    Shift=    0.000
 RMSDP=1.35D-03 MaxDP=1.94D-01 DE=-3.63D-03 OVMax= 1.81D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.05D-04    CP:  2.10D+00  1.03D+00
 E= -391.970907677145     Delta-E=        0.000009622658 Rises=F Damp=F
 DIIS: error= 1.79D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -391.970917299803     IErMin= 2 ErrMin= 1.48D-04
 ErrMax= 1.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-05 BMatP= 2.93D-05
 IDIUse=3 WtCom= 4.28D-01 WtEn= 5.72D-01
 Coeff-Com: -0.657D-02 0.537D+00 0.469D+00
 Coeff-En:   0.000D+00 0.570D+00 0.430D+00
 Coeff:     -0.281D-02 0.556D+00 0.447D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=1.59D-04 MaxDP=1.01D-02 DE= 9.62D-06 OVMax= 9.82D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.46D-05    CP:  2.11D+00  1.03D+00  8.66D-01
 E= -391.970947072359     Delta-E=       -0.000039395213 Rises=F Damp=F
 DIIS: error= 2.64D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -391.970947072359     IErMin= 4 ErrMin= 2.64D-05
 ErrMax= 2.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-07 BMatP= 2.93D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.236D-02 0.113D+00 0.150D+00 0.739D+00
 Coeff:     -0.236D-02 0.113D+00 0.150D+00 0.739D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=3.10D-05 MaxDP=4.19D-03 DE=-3.94D-05 OVMax= 1.77D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.40D-05    CP:  2.11D+00  1.03D+00  8.95D-01  9.05D-01
 E= -391.970947451031     Delta-E=       -0.000000378672 Rises=F Damp=F
 DIIS: error= 1.23D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -391.970947451031     IErMin= 5 ErrMin= 1.23D-05
 ErrMax= 1.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-07 BMatP= 5.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.778D-03 0.110D-01 0.432D-01 0.431D+00 0.516D+00
 Coeff:     -0.778D-03 0.110D-01 0.432D-01 0.431D+00 0.516D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=1.39D-05 MaxDP=1.55D-03 DE=-3.79D-07 OVMax= 6.81D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.65D-06    CP:  2.11D+00  1.03D+00  8.92D-01  9.32D-01  6.99D-01
 E= -391.970947677696     Delta-E=       -0.000000226665 Rises=F Damp=F
 DIIS: error= 1.02D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -391.970947677696     IErMin= 6 ErrMin= 1.02D-06
 ErrMax= 1.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-09 BMatP= 2.40D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.162D-03-0.123D-03 0.876D-02 0.108D+00 0.142D+00 0.742D+00
 Coeff:     -0.162D-03-0.123D-03 0.876D-02 0.108D+00 0.142D+00 0.742D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=9.78D-07 MaxDP=3.40D-05 DE=-2.27D-07 OVMax= 9.50D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.55D-07    CP:  2.11D+00  1.03D+00  8.93D-01  9.30D-01  7.14D-01
                    CP:  9.73D-01
 E= -391.970947678684     Delta-E=       -0.000000000988 Rises=F Damp=F
 DIIS: error= 4.68D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -391.970947678684     IErMin= 7 ErrMin= 4.68D-07
 ErrMax= 4.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-10 BMatP= 1.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.276D-04-0.554D-03 0.131D-02 0.214D-01 0.280D-01 0.345D+00
 Coeff-Com:  0.604D+00
 Coeff:     -0.276D-04-0.554D-03 0.131D-02 0.214D-01 0.280D-01 0.345D+00
 Coeff:      0.604D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=3.32D-07 MaxDP=2.64D-05 DE=-9.88D-10 OVMax= 3.89D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.26D-07    CP:  2.11D+00  1.03D+00  8.93D-01  9.31D-01  7.13D-01
                    CP:  9.78D-01  7.51D-01
 E= -391.970947679100     Delta-E=       -0.000000000416 Rises=F Damp=F
 DIIS: error= 1.18D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -391.970947679100     IErMin= 8 ErrMin= 1.18D-07
 ErrMax= 1.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-11 BMatP= 3.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.211D-05-0.228D-03-0.233D-03-0.322D-03-0.107D-02 0.855D-01
 Coeff-Com:  0.273D+00 0.644D+00
 Coeff:      0.211D-05-0.228D-03-0.233D-03-0.322D-03-0.107D-02 0.855D-01
 Coeff:      0.273D+00 0.644D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=9.38D-08 MaxDP=9.54D-06 DE=-4.16D-10 OVMax= 8.32D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.46D-08    CP:  2.11D+00  1.03D+00  8.93D-01  9.31D-01  7.13D-01
                    CP:  9.81D-01  7.78D-01  8.27D-01
 E= -391.970947679095     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 2.77D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -391.970947679100     IErMin= 9 ErrMin= 2.77D-08
 ErrMax= 2.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.83D-13 BMatP= 2.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-05-0.795D-04-0.149D-03-0.903D-03-0.146D-02 0.259D-01
 Coeff-Com:  0.997D-01 0.280D+00 0.597D+00
 Coeff:      0.173D-05-0.795D-04-0.149D-03-0.903D-03-0.146D-02 0.259D-01
 Coeff:      0.997D-01 0.280D+00 0.597D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=1.73D-08 MaxDP=1.01D-06 DE= 5.00D-12 OVMax= 2.15D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.60D-08    CP:  2.11D+00  1.03D+00  8.93D-01  9.31D-01  7.13D-01
                    CP:  9.81D-01  7.80D-01  8.21D-01  9.34D-01
 E= -391.970947679056     Delta-E=        0.000000000039 Rises=F Damp=F
 DIIS: error= 7.85D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 8 EnMin= -391.970947679100     IErMin=10 ErrMin= 7.85D-09
 ErrMax= 7.85D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.54D-14 BMatP= 7.83D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.694D-06-0.257D-04-0.568D-04-0.406D-03-0.618D-03 0.761D-02
 Coeff-Com:  0.318D-01 0.955D-01 0.279D+00 0.587D+00
 Coeff:      0.694D-06-0.257D-04-0.568D-04-0.406D-03-0.618D-03 0.761D-02
 Coeff:      0.318D-01 0.955D-01 0.279D+00 0.587D+00
 Gap=     0.259 Goal=   None    Shift=    0.000
 RMSDP=4.89D-09 MaxDP=2.93D-07 DE= 3.88D-11 OVMax= 6.24D-08

 SCF Done:  E(RB3LYP) =  -391.970947679     A.U. after   10 cycles
            NFock= 10  Conv=0.49D-08     -V/T= 2.0063
 KE= 3.895161115914D+02 PE=-2.096921383557D+03 EE= 7.203152391475D+02
 Leave Link  502 at Fri Jul  9 20:38:27 2021, MaxMem= 17179869184 cpu:            1450.7 elap:             121.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   392
 NBasis=   392 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    392 NOA=    39 NOB=    39 NVA=   353 NVB=   353

 **** Warning!!: The largest alpha MO coefficient is  0.10195630D+03

 Leave Link  801 at Fri Jul  9 20:38:27 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8667 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          28
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.29D-13 8.33D-09 XBig12= 1.00D+00 1.41D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.29D-13 8.33D-09 XBig12= 1.68D-01 5.02D-02.
     11 vectors produced by pass  2 Test12= 2.29D-13 8.33D-09 XBig12= 3.52D-02 2.24D-02.
     11 vectors produced by pass  3 Test12= 2.29D-13 8.33D-09 XBig12= 3.00D-03 8.59D-03.
     11 vectors produced by pass  4 Test12= 2.29D-13 8.33D-09 XBig12= 2.66D-04 2.54D-03.
     11 vectors produced by pass  5 Test12= 2.29D-13 8.33D-09 XBig12= 8.77D-06 4.17D-04.
     11 vectors produced by pass  6 Test12= 2.29D-13 8.33D-09 XBig12= 1.72D-07 4.43D-05.
     11 vectors produced by pass  7 Test12= 2.29D-13 8.33D-09 XBig12= 3.28D-09 8.06D-06.
     11 vectors produced by pass  8 Test12= 2.29D-13 8.33D-09 XBig12= 4.64D-11 9.57D-07.
      8 vectors produced by pass  9 Test12= 2.29D-13 8.33D-09 XBig12= 4.12D-13 7.43D-08.
      3 vectors produced by pass 10 Test12= 2.29D-13 8.33D-09 XBig12= 1.94D-14 9.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.130458D+03
      2  0.466670D-01  0.116243D+03
      3  0.669666D+00 -0.890554D-01  0.111678D+03
 Isotropic polarizability for W=    0.093368      119.46 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.441610D+01 -0.223077D+02  0.119292D+02
      2  -0.720511D+01  0.102115D+02 -0.406769D+01
      3   0.116212D+02  0.120962D+02 -0.786150D+01
      4  -0.310162D+02 -0.103031D+02  0.270073D+01
      5   0.189873D+02  0.167398D+01  0.184766D+02
      6   0.436691D+00  0.403489D+01 -0.415457D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.274028D+01  0.872656D+00  0.307129D+01
      2   0.339627D+01 -0.944569D+00  0.737764D+01
      3   0.402158D+01  0.260152D+01 -0.174313D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.102675D+01  0.810259D+01  0.162508D+02
      2  -0.705807D+01  0.226404D+01  0.685543D+01
      3  -0.870844D+01  0.309797D+01 -0.123728D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.160054D+01 -0.936667D+00 -0.830426D+00
      2  -0.936667D+00  0.106458D+01 -0.125062D+01
      3  -0.830426D+00 -0.125062D+01  0.588536D+00
 OR G Eigenvalues:    -2.3943     0.3354     2.1115  Iso=    -0.0175
 Eigenvectors:
   (1)   0.843612   0.369365   0.389729
   (2)  -0.533414   0.493282   0.687126
   (3)  -0.061554   0.787555  -0.613163
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0175 au.
 Molar Mass =    138.2522 grams/mole, [Alpha] ( 4880.0 A) =       -7.15 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   77028 ScalPx= 2.93D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   77028 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.86D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.82D-14 2.78D-09 XBig12= 1.00D+00 3.35D-01.
     30 vectors produced by pass  1 Test12= 3.82D-14 2.78D-09 XBig12= 1.80D-02 1.11D-02.
     30 vectors produced by pass  2 Test12= 3.82D-14 2.78D-09 XBig12= 1.02D-03 4.45D-03.
     30 vectors produced by pass  3 Test12= 3.82D-14 2.78D-09 XBig12= 9.09D-06 2.56D-04.
     30 vectors produced by pass  4 Test12= 3.82D-14 2.78D-09 XBig12= 8.95D-08 2.75D-05.
     30 vectors produced by pass  5 Test12= 3.82D-14 2.78D-09 XBig12= 6.55D-10 1.97D-06.
     30 vectors produced by pass  6 Test12= 3.82D-14 2.78D-09 XBig12= 1.63D-12 7.45D-08.
     13 vectors produced by pass  7 Test12= 3.82D-14 2.78D-09 XBig12= 1.90D-14 1.46D-08.
      4 vectors produced by pass  8 Test12= 3.82D-14 2.78D-09 XBig12= 1.55D-15 4.48D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   227 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   77028 ScalPx= 8.56D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   77028 ScalPx= 8.56D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   77028 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.16D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130458D+03  0.466670D-01  0.669666D+00
      2   0.466670D-01  0.116243D+03 -0.890554D-01
      3   0.669666D+00 -0.890554D-01  0.111678D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.274028D+01  0.872656D+00  0.307129D+01
      2   0.339627D+01 -0.944569D+00  0.737764D+01
      3   0.402158D+01  0.260152D+01 -0.174313D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.441610D+01 -0.223077D+02  0.119292D+02
      2  -0.720511D+01  0.102115D+02 -0.406769D+01
      3   0.116212D+02  0.120962D+02 -0.786150D+01
      4  -0.310162D+02 -0.103031D+02  0.270073D+01
      5   0.189873D+02  0.167398D+01  0.184766D+02
      6   0.436691D+00  0.403489D+01 -0.415457D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.102996D+01 -0.314925D+01  0.109401D+01 -0.359794D+01  0.221720D+00
      2  -0.314925D+01 -0.799069D+00  0.131433D+01  0.221720D+00  0.336596D+01
      3   0.109401D+01  0.131433D+01  0.288440D+01  0.187729D+01 -0.140715D+01
                 6             7             8             9            10 
      1   0.187729D+01  0.515409D+00  0.232104D+01  0.456413D+01 -0.112065D+00
      2  -0.140715D+01  0.232104D+01 -0.234018D+01 -0.236916D+01  0.410117D+01
      3  -0.161477D+01  0.456413D+01 -0.236916D+01 -0.484891D+00  0.163973D+01
                11            12            13            14            15 
      1   0.410117D+01  0.163973D+01  0.533117D+01  0.808620D+00  0.214279D+00
      2   0.177060D+01 -0.295046D+00  0.808620D+00 -0.565039D+01  0.600833D+00
      3  -0.295046D+00 -0.214683D+01  0.214279D+00  0.600833D+00  0.125947D+01
                16            17            18            19            20 
      1   0.303089D+01 -0.922266D-01 -0.255957D+01  0.107777D+01  0.174442D+01
      2  -0.922266D-01  0.191601D+01  0.132675D+01  0.174442D+01  0.723973D+00
      3  -0.255957D+01  0.132675D+01 -0.655210D+01 -0.783640D+00 -0.343516D+01
                21            22            23            24            25 
      1  -0.783640D+00  0.256926D+01  0.636547D+00 -0.342991D+01 -0.519134D+00
      2  -0.343516D+01  0.636547D+00 -0.434686D+01  0.157707D+01 -0.419395D+01
      3  -0.784822D+00 -0.342991D+01  0.157707D+01 -0.247419D+01 -0.772786D+00
                26            27            28            29            30 
      1  -0.419395D+01 -0.772786D+00 -0.331565D+01 -0.272821D+01  0.951802D+00
      2   0.228984D+01 -0.441923D+01 -0.272821D+01 -0.243638D+01  0.504687D+01
      3  -0.441923D+01 -0.422481D+00  0.951802D+00  0.504687D+01 -0.153809D+01
                31            32            33            34            35 
      1  -0.280279D+01 -0.206386D+01  0.533503D+01  0.786017D+00  0.596138D+01
      2  -0.206386D+01  0.174733D+01  0.728988D+00  0.596138D+01 -0.129957D+01
      3   0.533503D+01  0.728988D+00  0.341036D+01 -0.202871D+01  0.240199D+01
                36            37            38            39            40 
      1  -0.202871D+01  0.589020D+01  0.574109D+01  0.349616D+01  0.681297D+01
      2   0.240199D+01  0.574109D+01  0.209265D+01 -0.199800D+01  0.293906D+01
      3  -0.101760D+01  0.349616D+01 -0.199800D+01  0.900886D+00 -0.284713D+01
                41            42            43            44            45 
      1   0.293906D+01 -0.284713D+01  0.548894D+01 -0.227272D+01  0.846267D-01
      2  -0.367575D+01  0.331900D+01 -0.227272D+01  0.554580D+01 -0.320734D+01
      3   0.331900D+01 -0.289851D+01  0.846267D-01 -0.320734D+01 -0.256291D+01
                46            47            48            49            50 
      1  -0.485347D+01 -0.378787D+01 -0.299922D+01 -0.479626D+01 -0.198413D+00
      2  -0.378787D+01 -0.630288D+00 -0.107436D+00 -0.198413D+00  0.957376D+01
      3  -0.299922D+01 -0.107436D+00 -0.183345D+01 -0.198121D+00 -0.991502D+00
                51            52            53            54            55 
      1  -0.198121D+00 -0.674390D+01 -0.650951D+00 -0.204908D-01  0.187959D+01
      2  -0.991502D+00 -0.650951D+00 -0.913917D+00 -0.196668D+01 -0.317860D+00
      3  -0.320378D+01 -0.204908D-01 -0.196668D+01  0.406416D+01  0.395264D+01
                56            57            58            59            60 
      1  -0.317860D+00  0.395264D+01 -0.635192D+00 -0.196951D+01 -0.352835D+01
      2  -0.197216D+01 -0.369505D+01 -0.196951D+01 -0.154697D+01 -0.170118D+01
      3  -0.369505D+01  0.992246D+00 -0.352835D+01 -0.170118D+01  0.259932D+01
                61            62            63            64            65 
      1   0.281060D+01 -0.270659D+01  0.815396D+00 -0.298941D+01  0.180983D+01
      2  -0.270659D+01 -0.172293D+01  0.222946D+01  0.180983D+01 -0.131550D+01
      3   0.815396D+00  0.222946D+01 -0.304294D+00  0.179721D+01 -0.109227D+01
                66            67            68            69            70 
      1   0.179721D+01  0.181263D+01 -0.174526D+01 -0.128983D+01  0.319941D+01
      2  -0.109227D+01 -0.174526D+01  0.232762D+01  0.195413D+01 -0.194294D+01
      3  -0.184507D+01 -0.128983D+01  0.195413D+01  0.170562D+01 -0.325889D+01
                71            72            73            74            75 
      1  -0.194294D+01 -0.325889D+01  0.218149D+01 -0.417439D+01 -0.308426D+01
      2   0.276720D+01  0.255209D+01 -0.417439D+01 -0.219431D+01  0.668073D+00
      3   0.255209D+01  0.429826D+01 -0.308426D+01  0.668073D+00  0.238861D+01
                76            77            78            79            80 
      1  -0.616681D+01 -0.351010D+00  0.511254D+00 -0.415237D+01  0.211389D+00
      2  -0.351010D+00  0.696366D+01 -0.215614D+01  0.211389D+00 -0.251167D+01
      3   0.511254D+00 -0.215614D+01 -0.697382D+00  0.338133D+01  0.320946D-01
                81            82            83            84            85 
      1   0.338133D+01  0.598956D+00 -0.565106D+00  0.984200D+00 -0.859610D+00
      2   0.320946D-01 -0.565106D+00 -0.132349D+00 -0.846920D-02 -0.218661D+00
      3   0.504116D+01  0.984200D+00 -0.846920D-02  0.626273D+00  0.909643D-01
                86            87            88            89            90 
      1  -0.218661D+00  0.909643D-01  0.210557D+01  0.313954D+00  0.434193D+00
      2  -0.347597D+00  0.111304D+01  0.313954D+00  0.114571D+01 -0.126854D+01
      3   0.111304D+01 -0.118902D+01  0.434193D+00 -0.126854D+01  0.804352D+01
                91            92            93            94            95 
      1   0.612992D+01  0.332782D+01 -0.269014D+01  0.255325D+01  0.234050D+01
      2   0.332782D+01  0.314565D+01 -0.210192D+01  0.234050D+01  0.352103D+01
      3  -0.269014D+01 -0.210192D+01  0.235943D+01 -0.176360D+01 -0.168625D+01
                96            97            98            99           100 
      1  -0.176360D+01 -0.202550D+01 -0.177122D+01  0.234576D+01 -0.204050D+01
      2  -0.168625D+01 -0.177122D+01 -0.147383D+01  0.169568D+01 -0.502829D+01
      3   0.126101D+01  0.234576D+01  0.169568D+01 -0.252184D+01 -0.362300D+01
               101           102           103           104           105 
      1  -0.502829D+01 -0.362300D+01 -0.544285D+01 -0.198887D+01  0.136018D+01
      2  -0.118518D+01  0.101250D+01 -0.198887D+01  0.122837D+01 -0.443128D+01
      3   0.101250D+01  0.533949D+00  0.136018D+01 -0.443128D+01  0.323518D+01
               106           107           108           109           110 
      1  -0.289357D+01  0.149305D+01  0.571624D+00 -0.284304D+01 -0.491248D+01
      2   0.149305D+01 -0.339323D+01  0.281500D+01 -0.491248D+01 -0.821053D+00
      3   0.571624D+00  0.281500D+01  0.163247D+01 -0.227327D+01  0.145193D+01
               111           112           113           114           115 
      1  -0.227327D+01 -0.633285D+01 -0.292512D+01  0.187399D+01 -0.272804D+01
      2   0.145193D+01 -0.292512D+01  0.371994D+01 -0.282674D+01  0.161657D+01
      3   0.558890D+00  0.187399D+01 -0.282674D+01  0.278260D+01 -0.630698D+00
               116           117           118           119           120 
      1   0.161657D+01 -0.630698D+00  0.193132D+00 -0.101081D+01  0.482549D+00
      2  -0.353983D+01  0.359409D+01 -0.101081D+01  0.697350D+00 -0.160260D+00
      3   0.359409D+01  0.448862D+01  0.482549D+00 -0.160260D+00  0.181068D+00
               121           122           123           124           125 
      1  -0.155808D+01 -0.350863D+00  0.157791D+00  0.853622D+00  0.111996D+00
      2  -0.350863D+00 -0.112919D+02  0.139440D+00  0.111996D+00  0.349527D+00
      3   0.157791D+00  0.139440D+00 -0.796049D+00 -0.111653D+00 -0.114630D+01
               126           127           128           129           130 
      1  -0.111653D+00  0.216532D+01 -0.107518D+01 -0.206215D+01 -0.118998D+01
      2  -0.114630D+01 -0.107518D+01  0.130596D+01  0.132894D+01  0.106911D+01
      3  -0.455254D-01 -0.206215D+01  0.132894D+01  0.291971D+01  0.122373D+01
               131           132           133           134           135 
      1   0.106911D+01  0.122373D+01 -0.167756D+01  0.953250D+00  0.213490D+01
      2  -0.171743D+01 -0.178314D+01  0.953250D+00 -0.153520D+01 -0.233654D+01
      3  -0.178314D+01 -0.291961D+01  0.213490D+01 -0.233654D+01 -0.600711D+01
               136           137           138           139           140 
      1  -0.496003D+01  0.413686D+00 -0.334502D+01  0.972173D+00 -0.724779D+00
      2   0.413686D+00 -0.779465D+00  0.673555D+00 -0.724779D+00  0.659922D+00
      3  -0.334502D+01  0.673555D+00 -0.394379D+01  0.108641D+01 -0.778828D+00
               141           142           143           144           145 
      1   0.108641D+01 -0.219532D+01  0.487759D+00 -0.245390D+01 -0.362188D+01
      2  -0.778828D+00  0.487759D+00 -0.400718D+00  0.151564D+00  0.181488D+01
      3   0.101046D+01 -0.245390D+01  0.151564D+00 -0.410650D+01  0.126624D+01
               146           147           148           149           150 
      1   0.181488D+01  0.126624D+01  0.207713D+01 -0.104705D+01 -0.711098D+00
      2  -0.140595D+01 -0.102306D+01 -0.104705D+01  0.165804D+01  0.148456D+01
      3  -0.102306D+01 -0.257738D+01 -0.711098D+00  0.148456D+01  0.146676D+01
               151           152           153           154           155 
      1   0.134626D+01 -0.751970D+00 -0.133579D+01  0.661667D+01  0.309193D+01
      2  -0.751970D+00  0.124918D+01  0.930551D+00  0.309193D+01  0.230012D+01
      3  -0.133579D+01  0.930551D+00  0.223340D+01  0.284053D+01  0.112778D+01
               156           157           158           159           160 
      1   0.284053D+01  0.368961D+01  0.257056D+01  0.135019D+01  0.795725D+00
      2   0.112778D+01  0.257056D+01  0.247895D+01  0.170467D+01  0.300966D+00
      3   0.238328D+01  0.135019D+01  0.170467D+01  0.124491D+01  0.115989D+01
               161           162           163           164           165 
      1   0.300966D+00  0.115989D+01  0.107707D+01 -0.368023D+00  0.139031D+01
      2   0.594330D+00  0.540098D+00 -0.368023D+00  0.622532D+00 -0.463777D+00
      3   0.540098D+00  0.921822D+00  0.139031D+01 -0.463777D+00  0.829147D+00
               166           167           168           169           170 
      1  -0.114008D+01  0.136822D+01 -0.147708D+01  0.111243D+01 -0.735853D+00
      2   0.136822D+01 -0.408049D+01  0.344751D+01 -0.735853D+00  0.212755D+01
      3  -0.147708D+01  0.344751D+01 -0.479770D+01  0.117397D+01 -0.261748D+01
               171           172           173           174           175 
      1   0.117397D+01  0.207807D+00  0.232262D+00 -0.808603D+00  0.600206D-01
      2  -0.261748D+01  0.232262D+00  0.363212D-01  0.951349D-01  0.783890D+00
      3   0.467310D+01 -0.808603D+00  0.951349D-01  0.270687D+00  0.288693D+00
               176           177           178           179           180 
      1   0.783890D+00  0.288693D+00 -0.217594D+01  0.838367D+00  0.135816D+01
      2  -0.160596D+01 -0.111929D+01  0.838367D+00 -0.151601D+01 -0.228884D+01
      3  -0.111929D+01 -0.187345D+01  0.135816D+01 -0.228884D+01 -0.648676D+01
               181           182           183           184           185 
      1   0.166558D+01 -0.882214D+00  0.747870D+00 -0.217193D+01  0.323571D+01
      2  -0.882214D+00  0.823119D+00 -0.483468D+00  0.323571D+01 -0.670725D+01
      3   0.747870D+00 -0.483468D+00  0.248478D+00 -0.995768D+00  0.233979D+01
               186           187           188           189           190 
      1  -0.995768D+00  0.224849D+01 -0.174516D+01  0.118782D+01  0.941771D+01
      2   0.233979D+01 -0.174516D+01  0.337870D+01 -0.223498D+01  0.203405D+01
      3  -0.197375D+01  0.118782D+01 -0.223498D+01  0.168044D+01  0.304460D+00
               191           192           193           194           195 
      1   0.203405D+01  0.304460D+00  0.562703D+01  0.219356D+01 -0.143054D+00
      2   0.154261D+01  0.425754D-01  0.219356D+01  0.141070D+01  0.340635D+00
      3   0.425754D-01  0.767923D+00 -0.143054D+00  0.340635D+00  0.522216D+00
               196           197           198           199           200 
      1   0.109137D+01 -0.687476D-01  0.120861D+01 -0.457032D+01  0.107580D+01
      2  -0.687476D-01  0.528783D+00  0.222009D-02  0.107580D+01 -0.118995D+01
      3   0.120861D+01  0.222009D-02 -0.964562D-01 -0.214820D+01  0.406492D+00
               201           202           203           204           205 
      1  -0.214820D+01  0.685527D+00 -0.814417D+00  0.118617D+00 -0.350073D+01
      2   0.406492D+00 -0.814417D+00  0.188480D+00 -0.447489D+00  0.306810D+00
      3  -0.173652D+01  0.118617D+00 -0.447489D+00  0.357938D+00 -0.223039D+01
               206           207           208           209           210 
      1   0.306810D+00 -0.223039D+01 -0.125597D+01  0.137254D+01 -0.691322D+00
      2  -0.132829D+01  0.942388D+00  0.137254D+01 -0.181733D+01  0.109058D+01
      3   0.942388D+00 -0.247199D+01 -0.691322D+00  0.109058D+01 -0.417132D+00
               211           212           213           214           215 
      1   0.996844D+00 -0.146790D+01  0.790831D+00 -0.119387D+01  0.143622D+01
      2  -0.146790D+01  0.800418D+01 -0.319501D+01  0.143622D+01 -0.519601D+01
      3   0.790831D+00 -0.319501D+01  0.216668D+01 -0.593294D+00  0.365465D+01
               216           217           218           219           220 
      1  -0.593294D+00  0.167061D+01  0.959373D+00  0.118263D+01  0.740683D+00
      2   0.365465D+01  0.959373D+00  0.197045D+01  0.125418D+01  0.112970D+01
      3  -0.305946D+01  0.118263D+01  0.125418D+01  0.127305D+01  0.827642D+00
               221           222           223           224           225 
      1   0.112970D+01  0.827642D+00  0.160391D+01  0.117116D+01  0.127334D+01
      2   0.437781D+01  0.193610D+01  0.117116D+01  0.332859D+01  0.285796D+01
      3   0.193610D+01  0.183091D+01  0.127334D+01  0.285796D+01  0.339001D+01
               226           227           228           229           230 
      1  -0.147509D+01  0.177173D+00 -0.945542D+00  0.842687D+00 -0.298171D+00
      2   0.177173D+00 -0.272014D-01 -0.209116D+00 -0.298171D+00 -0.708649D+00
      3  -0.945542D+00 -0.209116D+00 -0.136875D+01 -0.886732D-01 -0.581864D+00
               231           232           233           234           235 
      1  -0.886732D-01 -0.280289D+01 -0.977289D+00 -0.231922D+01 -0.951971D+01
      2  -0.581864D+00 -0.977289D+00 -0.138973D+01 -0.657815D+00  0.583177D+00
      3   0.709329D-01 -0.231922D+01 -0.657815D+00 -0.632597D+01  0.291248D+01
               236           237           238           239           240 
      1   0.583177D+00  0.291248D+01  0.363097D+01 -0.103138D+01 -0.921038D+00
      2  -0.100706D+01 -0.329619D+00 -0.103138D+01  0.273786D+00  0.704779D+00
      3  -0.329619D+00 -0.185706D+01 -0.921038D+00  0.704779D+00  0.809444D+00
               241           242           243           244           245 
      1   0.451057D+01 -0.725376D-01 -0.267725D+01 -0.244664D+00 -0.479496D+00
      2  -0.725376D-01  0.110679D+01  0.206749D+00 -0.479496D+00  0.681898D+00
      3  -0.267725D+01  0.206749D+00  0.149981D+01  0.411551D+00 -0.110288D+00
               246           247           248           249           250 
      1   0.411551D+00 -0.170760D+01 -0.210195D+01  0.286751D+00  0.110960D+01
      2  -0.110288D+00 -0.210195D+01 -0.982025D+01  0.171532D+01  0.458261D+00
      3  -0.691108D-01  0.286751D+00  0.171532D+01 -0.129560D+01 -0.701106D+00
               251           252 
      1   0.458261D+00 -0.701106D+00
      2   0.223311D+01 -0.142043D+01
      3  -0.142043D+01  0.499110D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.484255D+01 -0.354405D+01 -0.347186D+01 -0.413743D+01  0.690267D+01
      2  -0.344752D+01 -0.233010D+01 -0.662802D+01 -0.301551D+01  0.323958D+01
      3  -0.892311D+01 -0.106583D+02  0.629120D+01 -0.387247D+01  0.726033D+01
                 6             7             8             9            10 
      1   0.110501D+01 -0.480281D+01  0.585295D+01 -0.345216D+00  0.466027D+01
      2   0.416455D+01 -0.155649D+02  0.544868D+01  0.154737D+00 -0.420636D+01
      3  -0.567913D-02  0.794906D+01 -0.660960D+00  0.506803D+00  0.907101D+01
                11            12            13            14            15 
      1   0.253800D+01 -0.145626D+01  0.208790D+01 -0.393217D+01 -0.952393D+00
      2  -0.133974D+01  0.463763D+01 -0.205314D+01 -0.260368D+01 -0.219746D+01
      3  -0.423287D+01 -0.258262D+01  0.282383D+01 -0.125281D+02  0.147738D+01
                16            17            18            19            20 
      1  -0.689346D+00  0.632034D+01 -0.485440D+01  0.221807D+01  0.110387D+02
      2   0.102579D+01 -0.229541D+01  0.156866D+02 -0.212029D+01  0.144065D+01
      3  -0.304136D+01  0.344895D+01  0.217013D+01  0.370950D+01  0.491038D+01
                21            22            23            24            25 
      1   0.290744D+01  0.106467D+02 -0.336615D+01  0.572826D+01  0.435274D+01
      2   0.194344D+01  0.170516D+01  0.621869D-01 -0.470514D+00 -0.203698D+01
      3  -0.265736D+01  0.116110D+02  0.279954D+00 -0.871673D+01 -0.300500D+01
                26            27            28            29            30 
      1   0.148312D+02  0.399245D+01  0.124165D+01 -0.799864D+01 -0.556499D+01
      2  -0.145585D+01  0.172429D+01 -0.118731D+00  0.418965D+01  0.129031D+01
      3  -0.102323D+02 -0.268070D+01  0.258092D+01 -0.495897D+01 -0.232415D+01
                31            32            33            34            35 
      1  -0.753141D+01 -0.290016D+01 -0.818673D+01 -0.392767D+01 -0.105011D+01
      2   0.416577D+01  0.800246D-01  0.946337D+01 -0.535979D+01  0.109096D+02
      3   0.810615D+00 -0.393007D+01  0.654120D+01 -0.488229D+01  0.875030D+01
                36            37            38            39            40 
      1  -0.339152D+01  0.502148D+01  0.448285D+00 -0.400492D-01  0.227962D+01
      2  -0.236681D+01  0.559860D+01 -0.508307D+01  0.380120D+01 -0.692343D+01
      3  -0.409831D+01 -0.141899D+02 -0.121414D+02  0.220346D+01 -0.367913D+01
                41            42            43            44            45 
      1   0.115070D+01 -0.401250D+01 -0.959480D+00  0.468514D+01 -0.393961D+01
      2   0.756302D+01 -0.741151D+01 -0.720904D+01 -0.758146D+01 -0.692903D+01
      3   0.452702D+01 -0.579001D+01  0.101603D+01 -0.102643D+02  0.765323D+01
                46            47            48            49            50 
      1  -0.632700D+01 -0.851139D+00 -0.126374D+01  0.118553D+00 -0.202562D+00
      2  -0.209154D+01 -0.129057D+01  0.314048D+00 -0.538506D+00  0.308873D+00
      3   0.569931D+01  0.358451D+01  0.333455D+01  0.114348D+02  0.334710D+01
                51            52            53            54            55 
      1  -0.763130D+01 -0.291276D+01 -0.219714D+01  0.989534D+01  0.276804D+01
      2   0.226554D+01 -0.574009D+01 -0.355949D+00 -0.278275D+01  0.564348D+01
      3   0.700759D+00  0.758058D+01  0.580115D+00 -0.887053D+00 -0.536691D+00
                56            57            58            59            60 
      1   0.627925D+01  0.107490D+02  0.257584D+01  0.293070D+01  0.543857D+01
      2  -0.236108D+01  0.145644D+02 -0.247346D+01 -0.755208D+01 -0.114390D+02
      3  -0.139801D+01 -0.252846D+01  0.272012D+01  0.140642D+01  0.183836D+01
                61            62            63            64            65 
      1   0.918354D+01  0.871609D+01 -0.808005D+01 -0.176849D+01  0.330403D+00
      2   0.585559D+01 -0.787763D+01  0.941591D+00 -0.196372D+01  0.165195D+01
      3  -0.125529D+01  0.176821D+01  0.689045D-01 -0.122230D+01 -0.197287D+01
                66            67            68            69            70 
      1   0.293818D+01  0.153528D+01 -0.111444D+01 -0.319780D+01  0.396394D+01
      2   0.487552D+01  0.132823D+01 -0.357387D+01 -0.389654D+01  0.309936D+01
      3   0.200377D+00  0.181863D+01  0.250198D+01  0.134541D+01  0.186271D+01
                71            72            73            74            75 
      1   0.250409D+00 -0.615007D+01 -0.622607D+01 -0.630966D+00  0.371156D+01
      2  -0.429968D+01 -0.853924D+01  0.108681D+02 -0.101726D+00 -0.545474D+01
      3   0.453363D+01  0.183444D+00 -0.183708D+02 -0.185169D+01  0.665410D+01
                76            77            78            79            80 
      1  -0.101913D+00 -0.302567D+01 -0.231853D+01  0.574469D+01  0.173869D+01
      2  -0.313622D-01  0.719930D+01  0.150555D+01 -0.136120D+02 -0.153745D+01
      3   0.109942D+02  0.249750D+02 -0.846382D+01  0.669399D+01 -0.801745D+01
                81            82            83            84            85 
      1   0.777160D+01  0.483588D+00 -0.237773D+00  0.724973D+00 -0.133461D+00
      2  -0.179310D+02 -0.358730D+01  0.463564D-01 -0.153649D+01  0.379435D+00
      3  -0.463304D+01 -0.203774D+01 -0.315542D+00 -0.387238D+00  0.243116D+01
                86            87            88            89            90 
      1   0.481886D+00 -0.774378D+00  0.106147D+01  0.310388D+01  0.473072D+01
      2  -0.164139D+01  0.156959D+01 -0.721410D+01  0.140999D+01 -0.149693D+02
      3   0.545847D+00  0.194507D+01 -0.150685D+01  0.206853D+01 -0.145656D+01
                91            92            93            94            95 
      1  -0.491772D+00 -0.185103D+01 -0.200152D+01 -0.474358D+00 -0.275431D+01
      2   0.429336D+01  0.870689D+00  0.264832D+01  0.186320D+01  0.744607D+00
      3   0.548427D+01 -0.277377D+01 -0.768648D+00  0.352104D+01 -0.174225D+01
                96            97            98            99           100 
      1  -0.178676D+01 -0.102043D+01  0.185556D+01  0.256842D+01 -0.106816D+02
      2   0.831956D+00 -0.176067D+01 -0.477104D+00 -0.147386D+01 -0.271124D+01
      3  -0.494023D+00 -0.205080D+01  0.183443D+00  0.122876D+01  0.948850D+01
               101           102           103           104           105 
      1  -0.200994D+01  0.187346D+01 -0.560849D+01  0.242838D+01 -0.140740D+02
      2   0.126818D+02  0.126367D+02  0.148393D+02 -0.494120D+01  0.367467D+01
      3  -0.339021D+00 -0.276272D+01  0.495877D+01 -0.242286D+01  0.898049D+01
               106           107           108           109           110 
      1   0.394066D+01 -0.650116D+01  0.654505D+01 -0.880344D+00  0.184325D+01
      2   0.630448D+01  0.201514D+01  0.117967D+01 -0.715020D+01  0.295014D+01
      3  -0.372192D+01  0.680165D+01 -0.518845D+01  0.199840D+02  0.872343D+01
               111           112           113           114           115 
      1  -0.184917D+00  0.278101D+01 -0.460527D+01  0.331743D+01 -0.252982D+01
      2   0.200295D+01  0.265948D+01 -0.932606D+01  0.110211D+02 -0.682737D+01
      3  -0.218310D+01  0.187914D+02 -0.996642D+01  0.668549D+01 -0.187835D+01
               116           117           118           119           120 
      1   0.817902D+01  0.598837D+01  0.123600D+01 -0.196723D+00 -0.201899D-01
      2   0.132522D+02  0.168280D+02 -0.413402D+00 -0.179264D+00  0.112870D+01
      3   0.769631D+01 -0.111623D+02 -0.169563D+00 -0.763860D+00 -0.529663D+00
               121           122           123           124           125 
      1   0.446283D+00  0.271485D+01 -0.586505D+01  0.211036D+00 -0.294264D+00
      2  -0.197620D-01 -0.722917D+00  0.379557D+00 -0.155134D+01  0.173081D+00
      3   0.771129D+01 -0.134573D+01 -0.208952D+00 -0.148231D+01 -0.246696D+00
               126           127           128           129           130 
      1   0.809243D-02  0.238200D+01 -0.438406D+01 -0.201412D+01 -0.271652D+01
      2   0.100983D-01  0.771843D+01 -0.294416D+01 -0.295668D+01 -0.421423D+01
      3   0.170632D-01 -0.164023D+01 -0.607906D+00  0.752143D+00  0.252114D+01
               131           132           133           134           135 
      1   0.414156D+01  0.863270D+00 -0.193484D+01  0.452653D+01  0.288439D+01
      2   0.267701D+01  0.259045D+01 -0.654529D+01  0.249881D+01  0.287271D+01
      3  -0.173706D+00 -0.257311D+00  0.141917D+01  0.595289D+00 -0.631363D+00
               136           137           138           139           140 
      1  -0.192327D+01  0.441290D+01 -0.264302D+01  0.197681D+01 -0.240842D+01
      2  -0.156108D+02  0.110017D+01 -0.481594D+01  0.314170D+01 -0.166104D+01
      3   0.124269D+01 -0.287053D+01  0.129838D+01  0.591827D+00  0.619703D+00
               141           142           143           144           145 
      1   0.895558D-01 -0.170348D+01  0.282235D+01 -0.968437D+00  0.432805D+01
      2   0.229099D+01 -0.715574D+01  0.983825D+00 -0.421526D+01  0.146463D+02
      3  -0.261246D+00  0.265532D+00 -0.193627D+01  0.919900D+00 -0.573079D+01
               146           147           148           149           150 
      1  -0.496519D+01 -0.541834D+00 -0.374950D+01  0.484824D+01  0.853936D+00
      2  -0.624847D+01 -0.483550D+01 -0.733167D+01  0.526107D+01  0.308282D+01
      3   0.169783D+01  0.171698D+01  0.434251D+01 -0.262627D+01 -0.225921D+01
               151           152           153           154           155 
      1  -0.138579D+01  0.348192D+01  0.947552D+00  0.646746D+01  0.575195D+01
      2  -0.734166D+01  0.341956D+01  0.518296D+01 -0.892986D+01 -0.418563D+01
      3   0.231346D+01 -0.121280D+01 -0.181444D+01 -0.278459D+01 -0.582059D+01
               156           157           158           159           160 
      1   0.741114D+00  0.492778D+01  0.538315D+01  0.140462D+01  0.611090D+00
      2   0.171393D+01 -0.629057D+01 -0.196500D+01  0.801481D+00 -0.174856D+01
      3  -0.178229D+01 -0.150187D+01 -0.497569D+01 -0.254705D+01  0.604377D-01
               161           162           163           164           165 
      1   0.221657D+01  0.816497D+00 -0.649189D+00  0.187259D+01 -0.836235D+00
      2  -0.416794D+00 -0.596088D+00  0.648940D+00 -0.275285D+00  0.475058D-01
      3  -0.109796D+01 -0.470496D+00  0.537429D+00 -0.186968D+01  0.995507D+00
               166           167           168           169           170 
      1   0.296533D+01 -0.108664D+02  0.512228D+01 -0.203334D+01  0.784859D+01
      2   0.132853D+01  0.371129D+01 -0.661345D+01 -0.260327D+01 -0.266693D+01
      3  -0.166173D+00  0.737039D+01 -0.592445D+01  0.498006D+00 -0.432561D+01
               171           172           173           174           175 
      1  -0.566284D+01 -0.167321D+01  0.673838D-01 -0.257587D+00 -0.269586D-01
      2   0.577142D+01 -0.315923D+01  0.880474D+00 -0.236273D-01  0.456967D+00
      3   0.462421D+01 -0.193975D+00 -0.105073D+01  0.771677D+00 -0.842130D+00
               176           177           178           179           180 
      1   0.207569D+00 -0.309295D+01  0.137251D+00  0.501430D+00 -0.853942D+01
      2  -0.267063D+01 -0.589516D+01 -0.197800D+01 -0.603343D+01 -0.210397D+02
      3   0.343767D+01  0.278777D+01  0.146192D+01  0.414556D+01  0.602391D+01
               181           182           183           184           185 
      1   0.116257D+01 -0.897557D+00  0.899090D+00 -0.184496D+01  0.373844D+01
      2   0.246179D+01 -0.183639D+01  0.218546D+01 -0.247458D+01  0.789450D+01
      3   0.102921D+01 -0.352709D+01  0.670877D+00 -0.424866D+01  0.171988D+02
               186           187           188           189           190 
      1  -0.611766D+01  0.128208D+01 -0.201042D+01  0.383129D+01 -0.359059D+00
      2  -0.748497D+01  0.195170D+01 -0.642338D+01  0.534975D+01  0.294886D+01
      3  -0.594004D+01  0.104338D+01 -0.882553D+01  0.547867D+01 -0.161720D+02
               191           192           193           194           195 
      1  -0.372597D+00  0.225105D+00 -0.552466D+00 -0.117846D+00 -0.107995D+01
      2   0.111175D+01  0.575950D+01  0.990887D+00  0.173812D+01  0.285694D+01
      3  -0.104191D+02 -0.543842D+00 -0.997032D+01 -0.810310D+01 -0.111193D+01
               196           197           198           199           200 
      1   0.969526D+00  0.360135D+00 -0.268887D+00  0.362649D+01  0.380016D+00
      2   0.215314D+01 -0.175557D+00 -0.493862D-04  0.509115D+01 -0.100632D+01
      3  -0.581950D+00 -0.192992D+01 -0.969109D+00 -0.450721D+01 -0.353460D+01
               201           202           203           204           205 
      1   0.308206D+01 -0.954155D-01  0.396898D+00 -0.164274D+01  0.299631D+01
      2   0.684747D+01 -0.855570D-01  0.118766D+01 -0.942646D+00  0.412049D+01
      3  -0.236825D+01  0.738823D+00 -0.167528D+01 -0.536892D+00 -0.503819D+01
               206           207           208           209           210 
      1  -0.103248D+00  0.467697D+01  0.111364D+01 -0.262340D+01  0.154457D+01
      2  -0.200205D+01  0.765656D+01 -0.810623D+00  0.259341D+00  0.123245D+01
      3  -0.382808D+01 -0.136689D+01 -0.347507D+01  0.871544D+00 -0.131866D+01
               211           212           213           214           215 
      1  -0.160713D+01  0.482918D+01 -0.741975D+01  0.233610D+00 -0.513206D+01
      2   0.108665D+01  0.190122D+00 -0.955166D+00 -0.202839D+01 -0.737432D-01
      3   0.472400D+01 -0.831465D+00  0.944276D+00 -0.438317D+01  0.148788D+01
               216           217           218           219           220 
      1   0.765939D+01 -0.367328D+01 -0.309908D+01 -0.477319D+01 -0.228521D+01
      2   0.675120D+00  0.758365D-01 -0.325258D+00  0.788637D+00 -0.880360D+00
      3  -0.872559D-02  0.551099D+01  0.439252D+00  0.346681D+01  0.353645D+01
               221           222           223           224           225 
      1  -0.503509D+01 -0.657271D+01 -0.426959D+01 -0.566816D+01 -0.119781D+02
      2  -0.784816D+00  0.365283D+00 -0.232679D+01 -0.298650D+00 -0.999496D+00
      3   0.274821D+01  0.268254D+01  0.660860D+01  0.326360D+01  0.368386D+01
               226           227           228           229           230 
      1  -0.169654D+01  0.123744D+00 -0.213336D+01 -0.378662D+00 -0.842457D+00
      2   0.322938D+01  0.954823D+00  0.484244D+01  0.780789D+00  0.176443D+01
      3   0.227315D+01 -0.110625D+01  0.647951D+00 -0.474233D+00 -0.123316D+01
               231           232           233           234           235 
      1  -0.791376D+00 -0.273477D+01  0.209630D+01 -0.102905D+02  0.399885D+01
      2  -0.599292D+00  0.347062D+01  0.127770D+01  0.223571D+02 -0.516315D+01
      3  -0.132939D+01  0.112289D+01 -0.398021D+01  0.154505D+01  0.152515D+02
               236           237           238           239           240 
      1  -0.158021D+01 -0.238798D+01 -0.123546D+01  0.138041D+01  0.521036D+00
      2   0.106761D+01  0.812845D+01  0.128180D+01 -0.185849D+01 -0.307876D+01
      3  -0.727646D+01 -0.533027D+01 -0.624510D+01  0.290299D+01  0.333682D+01
               241           242           243           244           245 
      1  -0.298509D+01  0.211407D+01  0.151276D+01  0.484231D+00  0.155837D+00
      2   0.493342D+01 -0.817425D+00 -0.411659D+01 -0.140785D+01  0.258012D+00
      3  -0.623636D+01  0.485863D+01  0.408053D+01 -0.193292D+01  0.113691D+01
               246           247           248           249           250 
      1   0.194311D+00 -0.194204D+00 -0.319977D+00 -0.476804D+01 -0.774396D+00
      2   0.702547D+00  0.324210D+00 -0.432063D+01  0.412061D+01  0.456677D+00
      3  -0.893706D+00  0.151209D+00 -0.275405D+02  0.491185D+01 -0.831937D+00
               251           252 
      1  -0.419228D+00  0.597161D+00
      2   0.337296D+01 -0.762225D+00
      3   0.637592D+01 -0.281704D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.413278D+01  0.103669D+02 -0.115092D+02  0.723612D+01 -0.172080D+01
      2   0.314820D+01 -0.726080D+01  0.629291D+01 -0.497381D+01  0.399082D+01
      3   0.984582D+00 -0.310607D+01  0.521625D+01 -0.226231D+01 -0.227003D+01
      4   0.158197D+02 -0.423785D+01 -0.318585D+00 -0.931000D+01 -0.993236D+01
      5  -0.284479D+01 -0.540190D+01 -0.147567D+02 -0.710585D+01  0.553368D+01
      6  -0.327378D+00  0.744466D+01  0.841620D+01  0.771598D+01 -0.702283D+01
                 6             7             8             9            10 
      1   0.165528D+00 -0.150888D+02 -0.234999D+01 -0.136265D+02 -0.303229D+01
      2  -0.176101D+01  0.100696D+02  0.340294D+01  0.721329D+01 -0.130865D+01
      3   0.159548D+01  0.501928D+01 -0.105295D+01  0.641318D+01  0.434094D+01
      4   0.843354D+01 -0.176538D+01  0.122128D+02  0.201832D+02 -0.236066D+02
      5   0.796135D+01 -0.227074D+02  0.139539D+02  0.405409D+01 -0.531591D+01
      6  -0.659540D+01  0.148125D+02 -0.783314D+01 -0.742717D+01 -0.673033D+00
                11            12            13            14            15 
      1  -0.131912D+02 -0.408816D+01 -0.174119D+02 -0.905954D+01 -0.269328D+01
      2   0.208550D+01  0.113989D+01  0.667310D+01  0.102676D+02  0.113305D+01
      3   0.111057D+02  0.294826D+01  0.107388D+02 -0.120806D+01  0.156023D+01
      4  -0.131373D+02 -0.231976D+01 -0.119495D+02  0.126827D+02 -0.520544D+00
      5   0.223495D+01  0.430341D+01  0.107289D+01 -0.119501D+01 -0.339936D+01
      6  -0.291086D+01  0.208315D+00 -0.114071D+01 -0.610253D+00 -0.223012D+01
                16            17            18            19            20 
      1  -0.292242D+01 -0.391601D+01  0.207927D+02 -0.511433D+01 -0.525628D+01
      2   0.139416D+01 -0.329938D+01  0.191397D+01  0.418274D+01  0.249975D+00
      3   0.152826D+01  0.721538D+01 -0.227066D+02  0.931590D+00  0.500630D+01
      4  -0.452798D+01 -0.570580D+01 -0.171977D+01  0.462954D+00 -0.507353D+01
      5   0.138319D+02 -0.278111D+01  0.150119D+02 -0.342203D+01  0.109950D+01
      6   0.168299D+01  0.161720D+01  0.126482D+02 -0.278420D+01 -0.152086D+02
                21            22            23            24            25 
      1   0.110687D+02 -0.778748D+01  0.190641D+02 -0.566925D+01  0.169201D+02
      2  -0.165800D+02  0.467573D+01 -0.223588D+02  0.711821D+01 -0.191885D+02
      3   0.551131D+01  0.311175D+01  0.329474D+01 -0.144896D+01  0.226841D+01
      4  -0.181644D+01  0.262772D+01  0.479160D+01 -0.140281D+02 -0.421481D+01
      5  -0.203689D+01  0.130414D+01 -0.743622D+01  0.409060D+00  0.104539D+01
      6   0.136217D+01 -0.149047D+02  0.128156D+02 -0.167125D+02 -0.301117D+01
                26            27            28            29            30 
      1  -0.915574D+01  0.168226D+02 -0.524468D+01 -0.313345D+01 -0.142583D+01
      2   0.104286D+02 -0.228109D+02  0.444719D+01  0.125914D+02  0.940200D+01
      3  -0.127284D+01  0.598830D+01  0.797491D+00 -0.945793D+01 -0.797617D+01
      4  -0.142903D+02 -0.343314D+01 -0.149600D+02 -0.141640D+02  0.140047D+02
      5  -0.739333D+00 -0.405490D+01  0.114211D+02  0.123064D+02 -0.117128D+02
      6  -0.273011D+02  0.173614D+01  0.899077D+01  0.125177D+02 -0.131501D+02
                31            32            33            34            35 
      1   0.198491D+01 -0.673530D+01  0.743711D+01 -0.331149D+01  0.141169D+02
      2   0.444919D+01  0.126430D+02 -0.479607D+01  0.781224D+01 -0.615740D+01
      3  -0.643410D+01 -0.590772D+01 -0.264104D+01 -0.450075D+01 -0.795948D+01
      4  -0.147580D+02 -0.683122D+01  0.614616D+01  0.205993D+02  0.581996D+01
      5   0.863145D+01  0.243322D+01 -0.278163D+01 -0.994058D+01 -0.319456D+01
      6   0.827325D+01  0.271875D+01 -0.758316D+01 -0.961802D+01  0.453888D-01
                36            37            38            39            40 
      1  -0.622101D+01  0.609474D+01  0.178651D+02  0.149547D+02  0.196046D+02
      2   0.895955D+01 -0.118695D+02 -0.120958D+02 -0.644050D+01 -0.100972D+02
      3  -0.273854D+01  0.577474D+01 -0.576930D+01 -0.851423D+01 -0.950745D+01
      4  -0.115061D+00  0.170256D+02  0.201236D-01 -0.106916D+02  0.257356D+01
      5  -0.997851D+00  0.165813D+02 -0.480079D+01  0.812652D+01 -0.224767D+01
      6   0.292103D+00 -0.209581D+01  0.793918D+00  0.358886D+01  0.450185D+01
                41            42            43            44            45 
      1  -0.312449D+01 -0.937418D+00  0.167365D+02 -0.453014D+01  0.624960D+01
      2   0.987237D+00  0.623736D+01 -0.824157D+01  0.287932D+01 -0.243644D+00
      3   0.213725D+01 -0.529994D+01 -0.849495D+01  0.165082D+01 -0.600595D+01
      4  -0.506053D+01  0.111371D+02 -0.138056D+02  0.101327D+02 -0.125095D+02
      5   0.130843D+02 -0.781918D+01  0.427827D+01 -0.108281D+02 -0.639447D+01
      6  -0.117356D+01  0.858317D+01 -0.296127D+01 -0.171914D+00 -0.307566D+01
                46            47            48            49            50 
      1  -0.948630D+01 -0.109639D+00 -0.389611D+01  0.156036D+00  0.259051D+02
      2   0.600352D+01  0.543360D+01  0.483059D+01  0.106364D+01 -0.407358D+02
      3   0.348278D+01 -0.532396D+01 -0.934475D+00 -0.121967D+01  0.148307D+02
      4   0.411424D+01  0.190324D+01  0.256403D+01  0.399756D+01  0.191993D+01
      5  -0.699466D+01 -0.436209D+01 -0.459192D+01 -0.575468D+01 -0.802179D+01
      6  -0.215580D+00  0.110871D+01 -0.528194D+01 -0.367233D+01 -0.336012D+01
                51            52            53            54            55 
      1  -0.837428D+01 -0.146906D+01 -0.214276D+01  0.826485D+00  0.617574D+01
      2  -0.688587D+00  0.460987D+01 -0.928591D+00  0.930425D+01  0.882497D+01
      3   0.906287D+01 -0.314081D+01  0.307136D+01 -0.101307D+02 -0.150007D+02
      4  -0.477866D+01  0.578055D+01  0.188082D+01  0.183961D+01  0.171552D+01
      5   0.108987D+01 -0.219364D+01  0.193802D+01 -0.199381D+01 -0.618347D+01
      6  -0.244725D+00  0.307517D+00  0.438841D+01 -0.223168D+01  0.970111D+00
                56            57            58            59            60 
      1  -0.730459D+01  0.583720D-01 -0.754993D+01 -0.523862D+01  0.736175D+01
      2  -0.967843D+01 -0.283285D+00 -0.783580D+01 -0.135053D+01  0.536790D+01
      3   0.169830D+02  0.224913D+00  0.153857D+02  0.658915D+01 -0.127297D+02
      4  -0.150055D+01 -0.199056D+01 -0.133696D+01  0.156164D+01  0.388727D+01
      5   0.156845D+01 -0.147748D+02  0.333520D+01  0.761982D+01  0.104410D+02
      6   0.421114D+01  0.166055D+02  0.814688D+01  0.108509D+01  0.213173D+01
                61            62            63            64            65 
      1  -0.297956D+01  0.735479D+00 -0.217259D+01  0.107199D+02 -0.478624D+01
      2  -0.159517D+01  0.912415D+01 -0.130318D+01 -0.567013D+01  0.887215D+00
      3   0.457473D+01 -0.985962D+01  0.347577D+01 -0.504980D+01  0.389903D+01
      4  -0.696459D+01 -0.496821D+00  0.465942D+01 -0.151082D+02  0.121352D+02
      5  -0.942612D+01  0.840603D+01  0.182413D+01 -0.123029D+02  0.680015D+01
      6   0.118601D+02 -0.118717D+01 -0.711534D+01  0.767620D+01 -0.645133D+01
                66            67            68            69            70 
      1  -0.405934D+01 -0.238894D+01 -0.361430D+01 -0.190883D+01 -0.613187D+01
      2   0.277888D+01 -0.140930D+01  0.842912D+01  0.299407D+01  0.524831D+01
      3   0.128046D+01  0.379824D+01 -0.481482D+01 -0.108523D+01  0.883561D+00
      4   0.863978D+01  0.141663D+02 -0.133917D+02 -0.111010D+02  0.143731D+02
      5   0.130091D+02  0.665553D+01 -0.918154D+01 -0.805168D+01  0.186919D+02
      6  -0.707609D+01 -0.772962D+01  0.109348D+02  0.107636D+02 -0.126005D+02
                71            72            73            74            75 
      1  -0.175034D+01  0.196025D+00 -0.221286D+02  0.194346D+02  0.207235D+02
      2   0.209049D+01 -0.638950D+01  0.236020D+02 -0.575174D+01 -0.126568D+02
      3  -0.340149D+00  0.619348D+01 -0.147342D+01 -0.136829D+02 -0.806670D+01
      4  -0.155017D+02 -0.162661D+02  0.250490D+02  0.170187D+02  0.707356D-01
      5  -0.120913D+02 -0.207676D+02  0.250457D+02 -0.477690D+01 -0.164214D+02
      6   0.140014D+02  0.181515D+02  0.472730D+01 -0.343538D+00 -0.406105D+01
                76            77            78            79            80 
      1   0.337812D+02  0.231008D+02 -0.954210D+01  0.246804D+02 -0.612132D+01
      2  -0.193744D+02 -0.325316D+02  0.116542D+02 -0.121484D+02  0.107844D+02
      3  -0.144068D+02  0.943079D+01 -0.211212D+01 -0.125320D+02 -0.466308D+01
      4   0.112505D+02 -0.281983D+02  0.991804D+01  0.383998D+01  0.112021D+02
      5  -0.624641D+01  0.113658D+02  0.417585D+01 -0.244028D+02 -0.306561D+00
      6   0.650896D+00  0.133940D+02 -0.923286D+00 -0.721856D+01 -0.209653D+01
                81            82            83            84            85 
      1  -0.183018D+02 -0.310378D+00  0.223989D+01 -0.183791D+01  0.212600D+01
      2   0.127197D+02 -0.336669D+01 -0.550465D+00  0.417933D+00 -0.655593D+00
      3   0.558215D+01  0.367707D+01 -0.168943D+01  0.141997D+01 -0.147041D+01
      4  -0.396162D+01  0.204740D+01  0.318941D+01 -0.837497D+00  0.448745D+01
      5  -0.277315D+02  0.476995D+00 -0.512380D+00  0.599439D+01 -0.285711D+00
      6  -0.136791D+02 -0.104562D+01  0.634851D+00 -0.477714D+00  0.587044D+00
                86            87            88            89            90 
      1  -0.355583D+01  0.319013D+01 -0.515341D+01  0.312473D+01 -0.209131D+02
      2   0.945460D+00 -0.889660D+00  0.117215D+01  0.162606D+01 -0.132047D+02
      3   0.261037D+01 -0.230047D+01  0.398127D+01 -0.475080D+01  0.341178D+02
      4   0.814732D+00 -0.233716D+01 -0.286767D+01 -0.428443D+01  0.209762D+01
      5  -0.194684D+01  0.269026D+01  0.402300D+01  0.356033D+01 -0.183062D+02
      6  -0.360414D+01  0.820011D+01  0.260153D+00  0.615027D+01 -0.122071D+02
                91            92            93            94            95 
      1   0.156644D+02  0.427549D+01 -0.257875D+01  0.369061D+00 -0.389284D+01
      2  -0.846368D+01  0.224233D+00  0.276757D+01  0.300053D+01  0.982553D+01
      3  -0.720068D+01 -0.449972D+01 -0.188819D+00 -0.336959D+01 -0.593269D+01
      4   0.242811D+02  0.192283D+02 -0.123442D+02  0.163858D+02  0.169018D+02
      5  -0.204648D+02 -0.125920D+02  0.161772D+02 -0.927146D+01 -0.993890D+01
      6  -0.129701D+02 -0.117200D+02  0.103860D+02 -0.102302D+02 -0.138578D+02
                96            97            98            99           100 
      1   0.197548D+01 -0.103036D+01  0.171546D+01 -0.255065D+01 -0.335816D+01
      2  -0.173226D+01  0.236245D+01  0.172827D+00 -0.540513D+01  0.519623D+01
      3  -0.243221D+00 -0.133210D+01 -0.188829D+01  0.795578D+01 -0.183807D+01
      4  -0.929163D+01 -0.103430D+02 -0.865885D+01  0.976626D+01 -0.206923D+02
      5   0.680739D+01  0.142279D+02  0.918207D+01 -0.119801D+02 -0.176549D+02
      6   0.105183D+02  0.996729D+01  0.105368D+02 -0.120621D+02 -0.174718D+02
               101           102           103           104           105 
      1  -0.209199D+02 -0.155366D+02 -0.247455D+02  0.287135D+01 -0.890968D+01
      2   0.487345D+01  0.310559D+01  0.605698D+01  0.942774D+01 -0.713006D+01
      3   0.160464D+02  0.124310D+02  0.186885D+02 -0.122991D+02  0.160397D+02
      4  -0.853087D+01 -0.194023D+01 -0.119066D+02  0.256117D+01 -0.159786D+02
      5  -0.119869D+02 -0.799850D+01 -0.124524D+02 -0.172833D+02  0.108303D+02
      6  -0.698726D+01  0.277007D+01 -0.105917D+02  0.725747D+01 -0.213714D+02
               106           107           108           109           110 
      1  -0.116438D+02 -0.394599D+01 -0.260972D+01 -0.245450D+02 -0.317756D+02
      2   0.248126D+01 -0.726719D+01 -0.611718D+01  0.180991D+02  0.188926D+02
      3   0.916251D+01  0.112132D+02  0.872690D+01  0.644589D+01  0.128831D+02
      4   0.273382D+01 -0.103168D+02  0.115734D+02 -0.302777D+02 -0.190296D+01
      5  -0.738924D+01  0.121642D+02  0.738530D+01 -0.115858D+02  0.829925D+01
      6   0.774741D+01 -0.145207D+02  0.148558D+02  0.659905D+01 -0.312325D+01
               111           112           113           114           115 
      1  -0.111112D+02 -0.418131D+02 -0.340607D+01  0.245295D+01 -0.120748D+02
      2   0.216613D+01  0.267364D+02 -0.805964D+01  0.661151D+01  0.135307D+01
      3   0.894503D+01  0.150768D+02  0.114657D+02 -0.906447D+01  0.107217D+02
      4   0.905022D+01 -0.110045D+02  0.182307D+02 -0.161724D+02  0.113690D+02
      5   0.129146D+01  0.988046D+01 -0.146507D+02  0.155362D+02 -0.293850D+01
      6   0.345731D+00 -0.496791D+01  0.962880D+01 -0.929517D+01  0.398650D+01
               116           117           118           119           120 
      1   0.219956D+01  0.628261D+01 -0.109426D+00  0.197165D+01 -0.367007D+00
      2   0.887670D+01 -0.698456D+01  0.395636D+01 -0.295954D+01 -0.611307D+00
      3  -0.110763D+02  0.701945D+00 -0.384693D+01  0.987887D+00  0.978314D+00
      4  -0.175402D+02  0.173914D+02 -0.146482D+00  0.108314D+02 -0.106419D+01
      5   0.184100D+02  0.220264D+02  0.557628D+00  0.358936D+00  0.323248D+01
      6  -0.833460D+01 -0.898895D+01  0.134724D+00 -0.432157D+00 -0.160987D-01
               121           122           123           124           125 
      1   0.573275D+00 -0.308324D+02 -0.382526D+00 -0.629250D+00  0.348936D+00
      2   0.132495D+01  0.563026D+02 -0.643372D+00 -0.102797D+01 -0.193567D+01
      3  -0.189822D+01 -0.254702D+02  0.102590D+01  0.165722D+01  0.158674D+01
      4   0.838910D+01  0.136782D+01  0.304304D+00 -0.190731D+01 -0.701441D+00
      5   0.231959D+00  0.133493D+01  0.302622D+00  0.232609D+01  0.109902D+00
      6   0.444788D+00  0.528974D+01  0.696721D+01  0.799290D+00  0.854107D+01
               126           127           128           129           130 
      1  -0.430784D+01 -0.151646D+00  0.185375D+01  0.725879D+01  0.245341D+01
      2   0.368822D+01 -0.741595D+01  0.351759D+01  0.815157D+01  0.168980D+01
      3   0.619618D+00  0.756759D+01 -0.537134D+01 -0.154104D+02 -0.414321D+01
      4   0.295037D+00 -0.490281D+01  0.368691D+01  0.357801D+01  0.419121D+01
      5   0.141251D+01 -0.864735D+01  0.433718D+01  0.127050D+02  0.413050D+01
      6   0.570171D+00  0.533439D+01 -0.606046D+01 -0.804034D+01 -0.586437D+01
               131           132           133           134           135 
      1  -0.631049D+01 -0.966453D+01  0.431690D+01 -0.672872D+01 -0.176867D+02
      2  -0.418722D-01 -0.372685D+01  0.547428D+01 -0.452733D+01 -0.161401D+02
      3   0.635236D+01  0.133914D+02 -0.979117D+01  0.112561D+02  0.338268D+02
      4  -0.368244D+01 -0.347951D+01  0.315442D+01 -0.282652D+01 -0.462282D+01
      5  -0.502613D+01 -0.538916D+01  0.106246D+02 -0.526372D+01 -0.125881D+02
      6   0.112406D+02  0.134380D+02 -0.628476D+01  0.101812D+02  0.155743D+02
               136           137           138           139           140 
      1   0.138615D+01  0.177774D+01 -0.654396D+01  0.189635D+01 -0.175877D+01
      2  -0.110472D+02  0.150074D+01 -0.115909D+02  0.240685D+01  0.690272D+00
      3   0.966107D+01 -0.327848D+01  0.181348D+02 -0.430321D+01  0.106849D+01
      4   0.877795D+00  0.390172D+01 -0.259777D+00  0.367953D+01 -0.636544D+00
      5   0.192011D+02 -0.217503D+01  0.178592D+02 -0.395140D+01  0.237378D+01
      6  -0.263856D+01  0.411164D+01 -0.368984D+01  0.296589D+01 -0.391790D+01
               141           142           143           144           145 
      1   0.229724D+01 -0.233875D+01  0.803050D+00 -0.900310D+01 -0.786455D+01
      2   0.167297D+01 -0.819736D+01 -0.296022D+00 -0.125099D+02  0.160337D+01
      3  -0.397021D+01  0.105361D+02 -0.507027D+00  0.215131D+02  0.626118D+01
      4   0.113242D+01  0.285925D+00  0.158954D+01 -0.648718D+00  0.231112D+01
      5  -0.430987D+01  0.142441D+02 -0.223331D+01  0.146225D+02 -0.857715D+01
      6   0.590540D+01 -0.267321D+01  0.469231D+01 -0.181560D+01  0.670896D+01
               146           147           148           149           150 
      1   0.858664D+01  0.111337D+02  0.896806D+01 -0.861054D+01 -0.654489D+01
      2  -0.244712D+01  0.330141D+01 -0.352484D+01  0.331587D+01 -0.820913D+00
      3  -0.613952D+01 -0.144351D+02 -0.544322D+01  0.529467D+01  0.736580D+01
      4   0.418958D+00 -0.900157D+00  0.253970D+01  0.943746D+00  0.310860D+01
      5   0.404498D+01  0.187678D+01  0.582254D+01 -0.456723D+00 -0.828503D+00
      6  -0.584881D+01 -0.606100D+01 -0.368565D+01  0.699023D+01  0.946374D+01
               151           152           153           154           155 
      1   0.716540D+01 -0.593697D+01 -0.111491D+02  0.286947D+02  0.103625D+02
      2   0.129830D+01  0.664542D+00 -0.291945D+01 -0.167251D+02 -0.355757D+01
      3  -0.846370D+01  0.527242D+01  0.140685D+02 -0.119695D+02 -0.680493D+01
      4  -0.399697D+00  0.137463D+01  0.103320D-01  0.196785D+02  0.150134D+02
      5   0.580068D+01 -0.245504D+01 -0.277981D+01  0.288641D+02  0.130345D+02
      6  -0.535343D+01  0.822354D+01  0.586009D+01  0.126477D+02  0.102862D+02
               156           157           158           159           160 
      1   0.655063D+01  0.124373D+02  0.422796D+01  0.171147D+01  0.209876D+00
      2  -0.916548D+01 -0.458613D+01  0.238038D+00 -0.294930D+01 -0.386667D+01
      3   0.261485D+01 -0.785120D+01 -0.446599D+01  0.123783D+01  0.365679D+01
      4   0.751831D+01  0.169960D+02  0.146745D+02  0.839042D+01  0.197633D+01
      5   0.187472D+02  0.155444D+02  0.118891D+02  0.918938D+01  0.103168D+02
      6   0.621502D+01  0.107320D+02  0.993895D+01  0.959995D+01  0.367579D+01
               161           162           163           164           165 
      1  -0.155972D+00  0.112913D+01  0.190625D+01 -0.366897D+00  0.336222D+01
      2  -0.106659D+01 -0.430008D+01 -0.358082D+01  0.197768D+01 -0.435024D+01
      3   0.122257D+01  0.317095D+01  0.167457D+01 -0.161078D+01  0.988017D+00
      4   0.287851D+01  0.329336D+01 -0.178802D+01  0.560586D+01 -0.299223D+01
      5   0.415729D+01  0.750534D+01  0.770154D+01 -0.351242D+01  0.941727D+01
      6   0.564179D+01  0.274947D+01 -0.235503D+01  0.305430D+01 -0.251836D+01
               166           167           168           169           170 
      1  -0.133743D-01 -0.828630D+01  0.110433D+02  0.999603D+00  0.645930D+01
      2   0.331117D+01 -0.485780D+00  0.832708D+01 -0.489133D+01  0.547432D+01
      3  -0.329780D+01  0.877208D+01 -0.193703D+02  0.389173D+01 -0.119336D+02
      4   0.807067D+01 -0.136106D+02  0.111764D+02 -0.324563D+01  0.699700D+01
      5  -0.895521D+01  0.116462D+02 -0.164078D+02  0.949660D+01 -0.849398D+01
      6   0.694372D+01 -0.218746D+02  0.209835D+02 -0.398875D+01  0.145798D+02
               171           172           173           174           175 
      1  -0.123198D+02  0.264397D+01  0.121983D+01 -0.339861D+01  0.193594D+01
      2  -0.120467D+02 -0.336326D+01  0.462644D-01  0.296106D+01 -0.204739D+01
      3   0.243665D+02  0.719295D+00 -0.126609D+01  0.437553D+00  0.111445D+00
      4  -0.804465D+01  0.907413D+00  0.173432D+01  0.276396D+01  0.581584D+01
      5   0.157074D+02 -0.337403D+01  0.140352D+01  0.573811D+01  0.227112D+01
      6  -0.161010D+02  0.187842D+01 -0.367250D+00 -0.153501D+01 -0.160656D+01
               176           177           178           179           180 
      1  -0.185795D+01 -0.295397D+01 -0.953888D+01 -0.174651D+01 -0.668322D+01
      2   0.366497D+01  0.157766D+01  0.565394D+01  0.149864D+01 -0.485272D+01
      3  -0.180702D+01  0.137631D+01  0.388495D+01  0.247866D+00  0.115359D+02
      4  -0.844111D+01 -0.551683D+01  0.758164D+01 -0.901427D+01 -0.118375D+02
      5  -0.541657D+01 -0.102749D+02  0.124378D+02 -0.126415D+02 -0.344988D+02
      6   0.519006D+01  0.983167D+01 -0.443594D+01  0.101209D+02  0.174308D+02
               181           182           183           184           185 
      1   0.996159D+01 -0.421700D+01  0.381243D+01 -0.547159D+01 -0.273977D+01
      2  -0.236813D+01 -0.556413D+00 -0.689444D+00 -0.584367D+01  0.237033D+02
      3  -0.759346D+01  0.477341D+01 -0.312299D+01  0.113153D+02 -0.209635D+02
      4  -0.756391D+01  0.117129D+02 -0.520938D+01  0.228972D+02 -0.387106D+02
      5   0.420612D+01 -0.405782D+01  0.384117D+01 -0.621861D+01  0.123554D+02
      6  -0.301104D+01  0.133384D+01 -0.741204D+00  0.405794D+01 -0.100946D+02
               186           187           188           189           190 
      1   0.160228D+01  0.870724D+01  0.842551D+00 -0.180577D+01  0.708776D+02
      2  -0.731366D+01 -0.107855D+01 -0.903677D+01  0.321782D+01 -0.386503D+02
      3   0.571139D+01 -0.762869D+01  0.819422D+01 -0.141205D+01 -0.322273D+02
      4   0.132355D+02 -0.128631D+02  0.191193D+02 -0.121800D+02  0.800583D+01
      5  -0.121903D+02  0.814641D+01 -0.123657D+02  0.980374D+01 -0.993497D+00
      6   0.934126D+01 -0.498515D+01  0.999717D+01 -0.799669D+01 -0.149896D+01
               191           192           193           194           195 
      1   0.170150D+02  0.196478D+01  0.370208D+02  0.125068D+02  0.518331D+00
      2  -0.110705D+02 -0.941376D+00 -0.205332D+02 -0.511393D+01 -0.853416D+00
      3  -0.594448D+01 -0.102340D+01 -0.164876D+02 -0.739286D+01  0.335085D+00
      4   0.117289D+02  0.149602D+00  0.142143D+02  0.103497D+02  0.215832D+01
      5  -0.499730D+00  0.858799D+01 -0.191852D+01  0.134766D+01  0.478802D+01
      6  -0.809551D+00 -0.104945D+01 -0.790511D+00 -0.170596D+01  0.163979D+01
               196           197           198           199           200 
      1   0.656395D+01  0.516860D+00  0.571184D+01  0.249572D+02 -0.412485D+01
      2  -0.298369D+01 -0.166587D+01 -0.373152D+01 -0.129343D+02  0.274920D+00
      3  -0.358025D+01  0.114901D+01 -0.198032D+01 -0.120228D+02  0.384993D+01
      4  -0.708929D+00  0.309405D+01  0.114572D+00 -0.152974D+02  0.100408D+02
      5   0.103960D+02  0.975777D+00 -0.267950D-01  0.134300D+02 -0.246902D+01
      6  -0.389528D+00  0.211443D+01  0.958389D+00 -0.501037D+01  0.703266D+00
               201           202           203           204           205 
      1   0.106748D+02 -0.599819D+00  0.240688D+01  0.585177D+00  0.168828D+02
      2  -0.590428D+01 -0.126465D+01 -0.585704D+00 -0.808847D+00 -0.101007D+02
      3  -0.477047D+01  0.186447D+01 -0.182117D+01  0.223670D+00 -0.678208D+01
      4  -0.641951D+01  0.791316D+01 -0.333694D+01  0.328591D+01 -0.101612D+02
      5   0.115747D+02 -0.486922D+00  0.325258D+01 -0.216890D+01  0.142093D+02
      6  -0.445142D+01  0.186727D+01 -0.131970D+01  0.380125D+01 -0.667630D+01
               206           207           208           209           210 
      1  -0.120812D+00  0.783133D+01 -0.144650D+01  0.502792D+01 -0.303458D+01
      2  -0.208778D+01 -0.682544D+01  0.527493D+01 -0.923025D+01  0.426864D+01
      3   0.220859D+01 -0.100589D+01 -0.382844D+01  0.420233D+01 -0.123405D+01
      4   0.716160D+01 -0.986782D+01 -0.704549D+01  0.131924D+02 -0.504911D+01
      5  -0.553847D+01  0.132097D+02  0.236294D+01 -0.405163D+01  0.451006D+01
      6   0.383676D+01 -0.603306D+01 -0.528985D+01  0.745756D+01 -0.388050D+01
               211           212           213           214           215 
      1   0.379231D+01 -0.315447D+02  0.131162D+02 -0.411693D+01  0.211767D+02
      2  -0.739820D+01  0.480558D+02 -0.170743D+02  0.589109D+01 -0.258841D+02
      3   0.360589D+01 -0.165111D+02  0.395810D+01 -0.177415D+01  0.470736D+01
      4   0.847561D+01 -0.125058D+02  0.618816D+01 -0.492930D+01  0.898641D+01
      5  -0.227181D+01  0.508147D+01 -0.273199D+01  0.379475D+01 -0.502493D+01
      6   0.577338D+01 -0.263018D+02  0.180530D+02 -0.444482D+01  0.267643D+02
               216           217           218           219           220 
      1  -0.162844D+02 -0.111751D+01 -0.516562D+01 -0.329111D+01 -0.322102D+01
      2   0.139810D+02  0.346798D+01  0.111205D+02  0.550360D+01  0.648383D+01
      3   0.230334D+01 -0.235047D+01 -0.595492D+01 -0.221249D+01 -0.326281D+01
      4  -0.497808D+01  0.791455D+01  0.882403D+01  0.535764D+01  0.601986D+01
      5   0.454526D+01  0.307026D+01  0.206738D+01  0.388997D+01  0.133785D+01
      6  -0.207332D+02  0.587201D+01  0.609771D+01  0.480100D+01  0.537207D+01
               221           222           223           224           225 
      1  -0.166757D+02 -0.692130D+01 -0.625634D+01 -0.127433D+02 -0.121200D+02
      2   0.258304D+02  0.101210D+02  0.589158D+01  0.178465D+02  0.118182D+02
      3  -0.915469D+01 -0.319967D+01  0.364756D+00 -0.510324D+01  0.301815D+00
      4   0.686853D+01  0.442428D+01  0.645687D+01  0.555778D+01  0.500698D+01
      5   0.235831D+01  0.119223D+01  0.362185D+01  0.174771D+01  0.297243D+01
      6   0.116346D+02  0.131528D+02  0.639949D+01  0.183769D+02  0.172678D+02
               226           227           228           229           230 
      1   0.105108D+02 -0.622380D+00  0.503117D+01 -0.547111D+01 -0.224426D+01
      2  -0.808914D+01  0.351258D+00 -0.365811D+01  0.380418D+01  0.334027D+01
      3  -0.242164D+01  0.271122D+00 -0.137306D+01  0.166693D+01 -0.109601D+01
      4   0.178173D+01  0.132277D+01  0.286693D+01  0.217750D+01  0.374560D+01
      5   0.592642D+01  0.151397D+01  0.126467D+02  0.535565D+00  0.314787D+01
      6   0.235557D+01  0.593523D+00  0.376906D+01  0.115913D+01  0.517921D+00
               231           232           233           234           235 
      1  -0.159754D+00  0.136046D+02  0.155236D+01  0.590236D+01  0.703146D+02
      2   0.969096D+00 -0.823683D+01  0.122119D+01 -0.117873D+02 -0.407809D+02
      3  -0.809342D+00 -0.536772D+01 -0.277356D+01  0.588491D+01 -0.295337D+02
      4   0.370549D+01  0.920553D+01  0.937137D+01  0.589404D+01  0.729137D+01
      5  -0.156396D+00  0.185072D+02  0.412291D+01  0.387708D+02 -0.272532D+02
      6   0.393710D+01  0.626466D+01  0.512119D+01  0.172859D+02 -0.446613D+01
               236           237           238           239           240 
      1  -0.675079D+01 -0.198016D+02 -0.232812D+02  0.515953D+01  0.624360D+01
      2   0.591062D+01  0.134871D+02  0.144398D+02 -0.152520D+01 -0.553978D+01
      3   0.840174D+00  0.631458D+01  0.884148D+01 -0.363433D+01 -0.703820D+00
      4   0.909235D+01 -0.142032D+01  0.637812D+01 -0.274343D+01 -0.403164D+01
      5   0.249076D+01  0.184654D+02  0.862280D+01 -0.507182D+01 -0.670598D+01
      6  -0.690074D+00  0.414494D+01 -0.499294D+00 -0.289100D+00  0.635864D+00
               241           242           243           244           245 
      1  -0.274023D+02  0.246102D+01  0.136929D+02  0.207920D+01  0.578977D+01
      2   0.185241D+02 -0.395744D+01 -0.127101D+02  0.854832D+00 -0.481007D+01
      3   0.887818D+01  0.149642D+01 -0.982747D+00 -0.293403D+01 -0.979707D+00
      4  -0.404475D+01 -0.713117D+01  0.123176D+01  0.215178D+01  0.418862D+01
      5   0.236370D+02 -0.165908D+01 -0.138121D+02 -0.256080D+01 -0.450431D+00
      6   0.429067D+01  0.232183D+01 -0.146575D+01 -0.204165D+01  0.604091D+00
               246           247           248           249           250 
      1  -0.322084D+01  0.538852D+01 -0.215294D+02  0.502070D+01 -0.514568D+01
      2   0.185040D+01  0.349029D+01  0.461219D+02 -0.717477D+01  0.187387D+01
      3   0.137044D+01 -0.887881D+01 -0.245926D+02  0.215407D+01  0.327181D+01
      4  -0.107940D+01  0.174773D+02  0.497143D+02 -0.872621D+01 -0.460767D+01
      5   0.197733D+01 -0.220974D+01 -0.919866D+01  0.780217D+01  0.579929D+01
      6  -0.582759D+00 -0.283893D+01 -0.135932D+02  0.968697D+01  0.263363D+01
               251           252 
      1   0.535103D+01 -0.213457D+01
      2  -0.792124D+01  0.301382D+01
      3   0.257021D+01 -0.879251D+00
      4  -0.109101D+02  0.682770D+01
      5   0.693527D+01 -0.224982D+01
      6   0.104358D+02 -0.453732D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 21:04:41 2021, MaxMem= 17179869184 cpu:           18839.9 elap:            1573.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18396 -10.17895 -10.17732 -10.17562 -10.17298
 Alpha  occ. eigenvalues --  -10.17279 -10.16946 -10.16839 -10.16755 -10.16621
 Alpha  occ. eigenvalues --   -0.87875  -0.78617  -0.75099  -0.73376  -0.68300
 Alpha  occ. eigenvalues --   -0.66503  -0.61921  -0.58860  -0.56653  -0.49412
 Alpha  occ. eigenvalues --   -0.48815  -0.47565  -0.44960  -0.42979  -0.42211
 Alpha  occ. eigenvalues --   -0.41032  -0.39867  -0.38756  -0.38239  -0.36868
 Alpha  occ. eigenvalues --   -0.36763  -0.35297  -0.34941  -0.33728  -0.32923
 Alpha  occ. eigenvalues --   -0.30557  -0.28842  -0.28412  -0.27050
 Alpha virt. eigenvalues --   -0.01149   0.00072   0.00397   0.00529   0.02239
 Alpha virt. eigenvalues --    0.02312   0.02398   0.02628   0.02763   0.04634
 Alpha virt. eigenvalues --    0.04778   0.05063   0.05468   0.05538   0.06017
 Alpha virt. eigenvalues --    0.06387   0.07688   0.08012   0.08487   0.08645
 Alpha virt. eigenvalues --    0.08962   0.09222   0.09787   0.09908   0.10084
 Alpha virt. eigenvalues --    0.10299   0.10520   0.10766   0.11269   0.11515
 Alpha virt. eigenvalues --    0.11767   0.12007   0.12163   0.12603   0.12944
 Alpha virt. eigenvalues --    0.13403   0.13694   0.13875   0.14431   0.14627
 Alpha virt. eigenvalues --    0.15207   0.15560   0.15852   0.16125   0.16559
 Alpha virt. eigenvalues --    0.17284   0.17393   0.17715   0.18061   0.18527
 Alpha virt. eigenvalues --    0.18954   0.19354   0.20236   0.20350   0.20604
 Alpha virt. eigenvalues --    0.21122   0.21286   0.21682   0.22759   0.23129
 Alpha virt. eigenvalues --    0.23743   0.23996   0.24662   0.25040   0.25907
 Alpha virt. eigenvalues --    0.26168   0.26469   0.27056   0.27727   0.28165
 Alpha virt. eigenvalues --    0.28792   0.29249   0.29519   0.30393   0.30738
 Alpha virt. eigenvalues --    0.31302   0.32040   0.32522   0.32802   0.33143
 Alpha virt. eigenvalues --    0.33400   0.34352   0.34984   0.35288   0.35679
 Alpha virt. eigenvalues --    0.36084   0.37065   0.37141   0.37825   0.38254
 Alpha virt. eigenvalues --    0.38537   0.38833   0.38975   0.39498   0.39939
 Alpha virt. eigenvalues --    0.40237   0.40427   0.40848   0.41361   0.42349
 Alpha virt. eigenvalues --    0.42634   0.42975   0.43804   0.45346   0.45885
 Alpha virt. eigenvalues --    0.46059   0.46959   0.47343   0.48034   0.48974
 Alpha virt. eigenvalues --    0.49147   0.49679   0.50217   0.51030   0.51519
 Alpha virt. eigenvalues --    0.51985   0.52303   0.52970   0.53568   0.54486
 Alpha virt. eigenvalues --    0.54595   0.55274   0.55627   0.55867   0.56588
 Alpha virt. eigenvalues --    0.56965   0.57348   0.57569   0.58603   0.59455
 Alpha virt. eigenvalues --    0.59713   0.60396   0.61032   0.61131   0.61899
 Alpha virt. eigenvalues --    0.62596   0.63703   0.64130   0.64428   0.64728
 Alpha virt. eigenvalues --    0.65056   0.65997   0.66242   0.66879   0.67230
 Alpha virt. eigenvalues --    0.67952   0.68081   0.68960   0.69266   0.70393
 Alpha virt. eigenvalues --    0.70781   0.70897   0.71305   0.71510   0.72348
 Alpha virt. eigenvalues --    0.72966   0.73364   0.73919   0.74935   0.75359
 Alpha virt. eigenvalues --    0.75878   0.76945   0.77518   0.77680   0.78485
 Alpha virt. eigenvalues --    0.78675   0.79175   0.80042   0.81062   0.81631
 Alpha virt. eigenvalues --    0.82235   0.82799   0.83053   0.83512   0.84646
 Alpha virt. eigenvalues --    0.85520   0.86716   0.87053   0.88199   0.88834
 Alpha virt. eigenvalues --    0.89626   0.90765   0.91072   0.92772   0.94150
 Alpha virt. eigenvalues --    0.95139   0.96916   0.98003   0.99321   0.99576
 Alpha virt. eigenvalues --    1.00526   1.00807   1.02863   1.04060   1.05310
 Alpha virt. eigenvalues --    1.05646   1.07266   1.08613   1.09458   1.10396
 Alpha virt. eigenvalues --    1.11799   1.12068   1.13520   1.14080   1.17531
 Alpha virt. eigenvalues --    1.19090   1.20275   1.21562   1.22696   1.23178
 Alpha virt. eigenvalues --    1.24960   1.26037   1.28181   1.31281   1.31651
 Alpha virt. eigenvalues --    1.33324   1.33712   1.35207   1.38111   1.40107
 Alpha virt. eigenvalues --    1.41820   1.42314   1.43373   1.44159   1.45312
 Alpha virt. eigenvalues --    1.46376   1.47286   1.48938   1.49912   1.50943
 Alpha virt. eigenvalues --    1.52160   1.54165   1.56067   1.57580   1.58780
 Alpha virt. eigenvalues --    1.59861   1.60969   1.61901   1.62513   1.63112
 Alpha virt. eigenvalues --    1.64426   1.65226   1.66360   1.67050   1.69126
 Alpha virt. eigenvalues --    1.70250   1.70922   1.72752   1.73146   1.73701
 Alpha virt. eigenvalues --    1.75979   1.77638   1.79730   1.80839   1.81270
 Alpha virt. eigenvalues --    1.82280   1.83479   1.84172   1.84529   1.85491
 Alpha virt. eigenvalues --    1.87179   1.88596   1.89126   1.89876   1.91645
 Alpha virt. eigenvalues --    1.91907   1.93035   1.94146   1.95438   1.96114
 Alpha virt. eigenvalues --    1.97596   2.00016   2.00214   2.01056   2.02312
 Alpha virt. eigenvalues --    2.03155   2.04575   2.05571   2.06501   2.08139
 Alpha virt. eigenvalues --    2.09349   2.10577   2.12296   2.12869   2.14976
 Alpha virt. eigenvalues --    2.15755   2.17061   2.17643   2.18761   2.20450
 Alpha virt. eigenvalues --    2.20802   2.22119   2.22996   2.23906   2.24806
 Alpha virt. eigenvalues --    2.26629   2.26899   2.28670   2.28994   2.30339
 Alpha virt. eigenvalues --    2.31243   2.32430   2.33436   2.34205   2.36013
 Alpha virt. eigenvalues --    2.38391   2.39134   2.39683   2.41634   2.42560
 Alpha virt. eigenvalues --    2.44709   2.46619   2.47035   2.49695   2.49895
 Alpha virt. eigenvalues --    2.51182   2.52162   2.54403   2.56151   2.57903
 Alpha virt. eigenvalues --    2.58031   2.60180   2.60848   2.61967   2.62809
 Alpha virt. eigenvalues --    2.64666   2.66337   2.68691   2.69624   2.72130
 Alpha virt. eigenvalues --    2.74034   2.75598   2.78004   2.79561   2.82153
 Alpha virt. eigenvalues --    2.84176   2.85449   2.86960   2.89445   2.92188
 Alpha virt. eigenvalues --    2.94568   2.99464   3.00970   3.11746   3.16391
 Alpha virt. eigenvalues --    3.18471   3.28691   3.40819   3.44130   4.25255
 Alpha virt. eigenvalues --    4.38950   4.44297   4.75320
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.459620  -3.911380  -2.239013   2.097550  -1.080282   2.277869
     2  C   -3.911380  17.241223   1.350130  -2.558406   2.827328  -7.105093
     3  C   -2.239013   1.350130   8.942889  -3.017550   0.778818  -1.492574
     4  C    2.097550  -2.558406  -3.017550  18.323554  -6.502396   6.058789
     5  C   -1.080282   2.827328   0.778818  -6.502396  20.699075  -8.489286
     6  C    2.277869  -7.105093  -1.492574   6.058789  -8.489286  26.950215
     7  C   -1.708637  -0.082048   0.851337  -6.034895   2.941138  -7.961692
     8  H   -1.667424   0.511008   0.515634  -0.266817   0.061785  -0.097472
     9  C   -0.313668  -0.821648   0.175082  -0.357331  -0.128604  -0.185576
    10  H    0.830476  -2.636344   0.045312  -0.174588  -0.031215   0.195739
    11  H   -0.156190   0.332284   0.707649  -3.474267   0.478217  -0.605337
    12  C   -0.465845  -0.316225  -0.112086   2.033463  -3.850923   2.249860
    13  C    0.391581  -0.267432  -0.468183  -0.351876  -2.231861  -0.700207
    14  H    0.071268   0.641596   0.080360  -0.420244   0.324774  -4.691323
    15  H   -0.170593   0.151173   0.086729   0.324067   0.247904  -0.047363
    16  H    0.231375   0.549365   0.009087  -1.051370   0.464894  -1.447313
    17  H   -0.071527  -0.097473  -0.184653  -0.397727   0.937583  -0.514504
    18  H    0.027095  -0.062885   0.110180  -0.061665  -0.185382   0.275546
    19  H   -0.010451   0.283910  -0.014042   0.071941   0.373502  -0.363112
    20  H    0.017113   0.127598   0.012100   0.104857   1.298706   0.051014
    21  H   -0.008338  -0.003759  -0.042717  -0.053281  -0.241302  -0.215248
    22  H    0.011525  -0.070516   0.030334  -0.130894  -0.090582   0.060748
    23  H   -0.365912   0.389444   0.133552   0.015613  -0.061544  -0.321555
    24  H    0.042759   0.073332  -0.532217  -0.038825   0.472438  -0.191736
    25  H    0.613999  -0.055314  -0.691162   0.121318  -0.078914  -0.207120
    26  H   -0.224206  -0.092829   0.133963  -0.131494   0.151297  -0.434078
    27  H    0.208990  -0.083269  -0.037349   0.071200  -0.166142   0.248336
    28  H   -0.129109   0.389411  -0.029685  -0.025423   0.103721  -0.014906
               7          8          9         10         11         12
     1  C   -1.708637  -1.667424  -0.313668   0.830476  -0.156190  -0.465845
     2  C   -0.082048   0.511008  -0.821648  -2.636344   0.332284  -0.316225
     3  C    0.851337   0.515634   0.175082   0.045312   0.707649  -0.112086
     4  C   -6.034895  -0.266817  -0.357331  -0.174588  -3.474267   2.033463
     5  C    2.941138   0.061785  -0.128604  -0.031215   0.478217  -3.850923
     6  C   -7.961692  -0.097472  -0.185576   0.195739  -0.605337   2.249860
     7  C   14.177334   0.254646   0.437745   0.348769   1.160653  -1.440938
     8  H    0.254646   3.285934   0.329704  -0.329049  -0.004878   0.018207
     9  C    0.437745   0.329704   6.163746  -0.369667   0.009876  -0.076427
    10  H    0.348769  -0.329049  -0.369667   3.861421   0.007162  -0.121564
    11  H    1.160653  -0.004878   0.009876   0.007162   3.866190  -0.368169
    12  C   -1.440938   0.018207  -0.076427  -0.121564  -0.368169   8.291981
    13  C    0.771533  -0.039536  -0.041697   0.018041   0.105913  -0.919623
    14  H    1.524988  -0.003786  -0.028800   0.061977  -0.007279  -0.401033
    15  H   -1.212424  -0.003386  -0.012837   0.052041  -0.122593   0.206235
    16  H    0.356546   0.042993  -0.090947  -0.022302   0.182793  -0.277463
    17  H    0.306498   0.006649  -0.022853  -0.079704  -0.028727  -0.380548
    18  H   -0.037940   0.005975   0.017182   0.016698   0.022950  -0.069918
    19  H   -0.011639   0.009990   0.037490  -0.002900   0.001918  -0.030580
    20  H   -0.424488  -0.002996  -0.027104   0.013727  -0.067801  -0.166468
    21  H    0.173337   0.000453   0.008577   0.016619   0.029356   0.133294
    22  H    0.069726   0.001162   0.009094  -0.019416  -0.017681   0.150461
    23  H    0.118639  -0.878915  -0.469077   0.186358  -0.005224   0.031491
    24  H    0.088818   0.181769   0.002463  -0.003323  -0.120179  -0.007388
    25  H    0.075166  -0.384573   0.014402   0.022837   0.029168  -0.203924
    26  H    0.144858   0.011358   0.485682   0.123426   0.001102   0.010007
    27  H   -0.085840   0.004999   0.070651  -0.060818   0.001829   0.015391
    28  H    0.115961   0.022328  -0.147758  -0.120684   0.000181  -0.027337
              13         14         15         16         17         18
     1  C    0.391581   0.071268  -0.170593   0.231375  -0.071527   0.027095
     2  C   -0.267432   0.641596   0.151173   0.549365  -0.097473  -0.062885
     3  C   -0.468183   0.080360   0.086729   0.009087  -0.184653   0.110180
     4  C   -0.351876  -0.420244   0.324067  -1.051370  -0.397727  -0.061665
     5  C   -2.231861   0.324774   0.247904   0.464894   0.937583  -0.185382
     6  C   -0.700207  -4.691323  -0.047363  -1.447313  -0.514504   0.275546
     7  C    0.771533   1.524988  -1.212424   0.356546   0.306498  -0.037940
     8  H   -0.039536  -0.003786  -0.003386   0.042993   0.006649   0.005975
     9  C   -0.041697  -0.028800  -0.012837  -0.090947  -0.022853   0.017182
    10  H    0.018041   0.061977   0.052041  -0.022302  -0.079704   0.016698
    11  H    0.105913  -0.007279  -0.122593   0.182793  -0.028727   0.022950
    12  C   -0.919623  -0.401033   0.206235  -0.277463  -0.380548  -0.069918
    13  C    7.991546   0.254037  -0.044554   0.134440   0.389460  -0.112969
    14  H    0.254037   4.682479  -0.133809   0.222017  -0.014292   0.001553
    15  H   -0.044554  -0.133809   3.681530  -1.289931   0.032765  -0.000420
    16  H    0.134440   0.222017  -1.289931   3.923210  -0.009465  -0.007258
    17  H    0.389460  -0.014292   0.032765  -0.009465   2.891123  -0.781582
    18  H   -0.112969   0.001553  -0.000420  -0.007258  -0.781582   2.529962
    19  H   -0.333531   0.018871  -0.007010  -0.001221  -0.739440  -0.322000
    20  H   -0.702810  -0.070126  -0.094832  -0.008907  -0.086981   0.040866
    21  H    0.266261  -0.019669   0.018320   0.016771   0.065899   0.034872
    22  H    0.056281   0.037945   0.008765   0.008521   0.067528  -0.103367
    23  H    0.036005  -0.014440   0.054300  -0.099828   0.011048  -0.001666
    24  H    0.024603  -0.008320   0.028825  -0.059537  -0.001394   0.019139
    25  H    0.055323  -0.000003   0.003725   0.020632   0.057857  -0.031377
    26  H   -0.013915  -0.038423   0.040383  -0.080599  -0.001294   0.002623
    27  H    0.003698   0.049068  -0.011503  -0.000382   0.009977   0.000505
    28  H    0.006463  -0.031686   0.005300   0.014271  -0.010353   0.000210
              19         20         21         22         23         24
     1  C   -0.010451   0.017113  -0.008338   0.011525  -0.365912   0.042759
     2  C    0.283910   0.127598  -0.003759  -0.070516   0.389444   0.073332
     3  C   -0.014042   0.012100  -0.042717   0.030334   0.133552  -0.532217
     4  C    0.071941   0.104857  -0.053281  -0.130894   0.015613  -0.038825
     5  C    0.373502   1.298706  -0.241302  -0.090582  -0.061544   0.472438
     6  C   -0.363112   0.051014  -0.215248   0.060748  -0.321555  -0.191736
     7  C   -0.011639  -0.424488   0.173337   0.069726   0.118639   0.088818
     8  H    0.009990  -0.002996   0.000453   0.001162  -0.878915   0.181769
     9  C    0.037490  -0.027104   0.008577   0.009094  -0.469077   0.002463
    10  H   -0.002900   0.013727   0.016619  -0.019416   0.186358  -0.003323
    11  H    0.001918  -0.067801   0.029356  -0.017681  -0.005224  -0.120179
    12  C   -0.030580  -0.166468   0.133294   0.150461   0.031491  -0.007388
    13  C   -0.333531  -0.702810   0.266261   0.056281   0.036005   0.024603
    14  H    0.018871  -0.070126  -0.019669   0.037945  -0.014440  -0.008320
    15  H   -0.007010  -0.094832   0.018320   0.008765   0.054300   0.028825
    16  H   -0.001221  -0.008907   0.016771   0.008521  -0.099828  -0.059537
    17  H   -0.739440  -0.086981   0.065899   0.067528   0.011048  -0.001394
    18  H   -0.322000   0.040866   0.034872  -0.103367  -0.001666   0.019139
    19  H    2.400171   0.031324  -0.113730   0.026197  -0.006487  -0.004246
    20  H    0.031324   2.325501  -0.484920  -0.505498   0.003068  -0.000782
    21  H   -0.113730  -0.484920   2.300023  -0.586874  -0.000468   0.005030
    22  H    0.026197  -0.505498  -0.586874   2.260071  -0.001133  -0.000054
    23  H   -0.006487   0.003068  -0.000468  -0.001133   3.058508  -0.404026
    24  H   -0.004246  -0.000782   0.005030  -0.000054  -0.404026   2.702002
    25  H    0.012344   0.005948  -0.011995   0.019284   0.237976  -0.781308
    26  H    0.003278   0.001687  -0.000340  -0.000833  -0.054145   0.017973
    27  H   -0.002198  -0.000769   0.000086   0.000462  -0.077401   0.000272
    28  H    0.002831  -0.006132   0.000522   0.002738   0.010806  -0.004225
              25         26         27         28
     1  C    0.613999  -0.224206   0.208990  -0.129109
     2  C   -0.055314  -0.092829  -0.083269   0.389411
     3  C   -0.691162   0.133963  -0.037349  -0.029685
     4  C    0.121318  -0.131494   0.071200  -0.025423
     5  C   -0.078914   0.151297  -0.166142   0.103721
     6  C   -0.207120  -0.434078   0.248336  -0.014906
     7  C    0.075166   0.144858  -0.085840   0.115961
     8  H   -0.384573   0.011358   0.004999   0.022328
     9  C    0.014402   0.485682   0.070651  -0.147758
    10  H    0.022837   0.123426  -0.060818  -0.120684
    11  H    0.029168   0.001102   0.001829   0.000181
    12  C   -0.203924   0.010007   0.015391  -0.027337
    13  C    0.055323  -0.013915   0.003698   0.006463
    14  H   -0.000003  -0.038423   0.049068  -0.031686
    15  H    0.003725   0.040383  -0.011503   0.005300
    16  H    0.020632  -0.080599  -0.000382   0.014271
    17  H    0.057857  -0.001294   0.009977  -0.010353
    18  H   -0.031377   0.002623   0.000505   0.000210
    19  H    0.012344   0.003278  -0.002198   0.002831
    20  H    0.005948   0.001687  -0.000769  -0.006132
    21  H   -0.011995  -0.000340   0.000086   0.000522
    22  H    0.019284  -0.000833   0.000462   0.002738
    23  H    0.237976  -0.054145  -0.077401   0.010806
    24  H   -0.781308   0.017973   0.000272  -0.004225
    25  H    2.584438  -0.006711  -0.003314   0.005696
    26  H   -0.006711   2.078337  -0.431013  -0.489139
    27  H   -0.003314  -0.431013   2.043453  -0.532223
    28  H    0.005696  -0.489139  -0.532223   2.246882
 Mulliken charges:
               1
     1  C    1.241353
     2  C   -0.703179
     3  C    0.898075
     4  C    1.826694
     5  C   -3.022743
     6  C    2.717379
     7  C    1.082847
     8  H   -0.585762
     9  C    1.332300
    10  H   -0.829028
    11  H   -0.958916
    12  C    2.096070
    13  C    1.723013
    14  H   -1.087702
    15  H   -0.790810
    16  H   -0.730391
    17  H   -0.353870
    18  H   -0.326926
    19  H   -0.311179
    20  H   -0.382895
    21  H   -0.286781
    22  H   -0.293995
    23  H   -0.524986
    24  H   -0.501862
    25  H   -0.424398
    26  H   -0.206953
    27  H   -0.236694
    28  H   -0.358662
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.130606
     2  C   -1.532208
     3  C   -0.028185
     4  C    0.867778
     5  C   -3.022743
     6  C    1.629678
     7  C   -0.438354
     9  C    0.529991
    12  C    1.104095
    13  C    0.759343
 Electronic spatial extent (au):  <R**2>=           1435.5400
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0013    Y=              0.0902    Z=              0.1010  Tot=              0.1354
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -67.0493   YY=            -66.4149   ZZ=            -66.1656
   XY=             -0.2792   XZ=             -0.2450   YZ=             -0.1650
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5060   YY=              0.1284   ZZ=              0.3776
   XY=             -0.2792   XZ=             -0.2450   YZ=             -0.1650
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              1.0521  YYY=             -1.0887  ZZZ=             -0.7537  XYY=              1.1212
  XXY=              3.5686  XXZ=             -0.1091  XZZ=             -1.4538  YZZ=              0.0483
  YYZ=              1.0120  XYZ=              0.2848
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1102.2661 YYYY=           -539.6210 ZZZZ=           -449.1839 XXXY=              2.5234
 XXXZ=             -1.0307 YYYX=             -0.4953 YYYZ=             -4.3612 ZZZX=             -5.4962
 ZZZY=              0.6490 XXYY=           -275.0172 XXZZ=           -251.9401 YYZZ=           -160.0268
 XXYZ=             -0.5107 YYXZ=              0.4858 ZZXY=             -4.4148
 N-N= 5.951190851388D+02 E-N=-2.096921382605D+03  KE= 3.895161115914D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 21:04:41 2021, MaxMem= 17179869184 cpu:               3.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.35382624D-04 3.45650446D-02 3.94025167D-02
 Polarizability= 1.22105360D+02-1.24919004D-01 1.09054775D+02
                 6.28409595D-01-1.15229645D-01 1.05096169D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3324   -0.3348        0.0243    0.0233
 2      0.3324    0.3348        0.0437    0.0445       -7.1074   -7.1076
 3     -0.0243   -0.0233        9.3921    9.3900       -0.0430   -0.0445
 4     -0.0437   -0.0445        0.0000    0.0000       -0.0269   -0.0233
 5     -2.2847   -2.2824        0.0269    0.0233       -0.3307   -0.3348
 6      0.0430    0.0445        0.3307    0.3348       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0045    1.0045        0.0700    0.0700
 2     -0.1336   -0.1336       -0.0000    0.0000        0.0700    0.0700
 3     -0.1336   -0.1336        1.0045    1.0045        0.0000    0.0000
 4      1.0045    1.0045        0.1336    0.1336      -21.3228  -21.3228
 5     -0.0700   -0.0700       28.1700   28.1700       -0.1336   -0.1336
 6     -6.8472   -6.8472        0.0700    0.0700       -1.0045   -1.0045
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0482    0.0000        1.2903    1.3393       -0.1383   -0.0933
 2     -1.2619   -1.3393       -0.0980   -0.1781       28.5496   28.4304
 3      0.0303    0.0933      -37.5337  -37.5600        0.1404    0.1781
 4      0.0879    0.1781       -0.0369    0.0000        0.0600    0.0933
 5      9.1140    9.1296       -0.0534   -0.0933        1.3042    1.3393
 6     -0.1684   -0.1781       -1.3184   -1.3393       -0.0245    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0319    0.0000        7.1882    7.0929       -4.2882   -4.2689
 2     -7.0244   -7.0929        9.9414    9.9792        7.3560    7.3697
 3      4.1438    4.2689       -9.0654   -8.9668      -10.1465   -9.9792
 4     -9.9294   -9.9792       -0.0615    0.0000        4.2795    4.2689
 5      1.7481    1.5971       -4.2656   -4.2689        7.0540    7.0929
 6      9.9035    9.9792       -7.1562   -7.0929        0.0043    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.9372  -18.8263       26.8166   26.8616       14.9994   14.9524
 2    -28.8409  -28.7797       34.4432   34.4039       15.0270   14.9524
 3    -28.8222  -28.7797       26.8344   26.8616       16.1114   15.9969
 4     -7.4523   -7.5423        9.9952    9.9534       -6.6368   -6.5816
 5      0.9387    1.0445       -0.4214   -0.4211      -10.0462   -9.9534
 6      7.2759    7.0026       -0.8851   -1.0445        7.5378    7.5423
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.2126  -11.2057   -0.0006   -0.0002    0.0001    3.8994
 Low frequencies ---  126.9817  176.3350  201.2294
 Diagonal vibrational polarizability:
        1.2012686       1.1302383       1.1523327
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    126.9788               176.3320               201.2291
 Red. masses --      2.1940                 1.7878                 1.3296
 Frc consts  --      0.0208                 0.0328                 0.0317
 IR Inten    --      0.0066                 0.0218                 0.0116
 RamAct Fr= 1--      0.3384                 0.6116                 0.1535
  Dep-P Fr= 1--      0.6272                 0.7428                 0.7442
  Dep-U Fr= 1--      0.7709                 0.8524                 0.8533
 Alpha2 Fr= 1--      0.0008                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0435                 0.0869                 0.0218
 AlphaG Fr= 1--     -0.0018                 0.0007                 0.0001
 Gamma2 Fr= 1--     -0.1365                 0.0706                -0.0832
 Delta2 Fr= 1--      0.0662                -0.0592                -0.0328
 Raman1 Fr= 1--       1.354                  2.446                  0.614
 ROA1   Fr= 1--     -10.984                  4.885                 -9.033
 CID1   Fr= 1--      -8.115                  1.997                -14.709
 Raman2 Fr= 1--       0.522                  1.043                  0.262
 ROA2   Fr= 1--      -3.806                  2.168                 -1.734
 CID2   Fr= 1--      -7.295                  2.079                 -6.618
 Raman3 Fr= 1--       1.043                  2.085                  0.524
 ROA3   Fr= 1--     -10.984                  4.885                 -9.033
 CID3   Fr= 1--     -10.527                  2.342                -17.237
 RC180  Fr= 1--       0.542                  0.705                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.20    -0.05   0.00  -0.07     0.02  -0.02   0.02
     2   6     0.00  -0.05   0.02    -0.05   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.01  -0.02  -0.03    -0.00  -0.01   0.07     0.01  -0.00   0.00
     4   6    -0.02  -0.04  -0.04    -0.01  -0.01   0.04     0.02   0.01  -0.01
     5   6    -0.00   0.01  -0.00     0.02   0.00   0.02    -0.01   0.00  -0.02
     6   6     0.01  -0.03   0.04    -0.01   0.01   0.08    -0.00   0.01  -0.06
     7   6    -0.05  -0.06   0.02    -0.02  -0.02   0.06     0.02   0.04  -0.04
     8   1     0.31  -0.04   0.35    -0.18   0.03  -0.15     0.05  -0.03   0.05
     9   6    -0.01   0.05  -0.18    -0.01  -0.01  -0.10    -0.00  -0.02   0.06
    10   1    -0.07  -0.20   0.02    -0.13   0.06   0.02     0.07  -0.04  -0.03
    11   1    -0.04  -0.06  -0.08    -0.03  -0.00   0.02     0.03   0.03   0.01
    12   6    -0.01   0.10  -0.03     0.15   0.06  -0.01    -0.04   0.06  -0.03
    13   6     0.01   0.01   0.02    -0.03  -0.04  -0.05    -0.03  -0.06   0.06
    14   1     0.03  -0.03   0.06    -0.02   0.01   0.10     0.01   0.01  -0.09
    15   1    -0.08  -0.07  -0.00    -0.02  -0.03   0.06     0.02   0.04  -0.04
    16   1    -0.08  -0.07   0.06    -0.02  -0.04   0.06     0.03   0.07  -0.05
    17   1    -0.06   0.03  -0.04     0.05  -0.21   0.13    -0.15  -0.14   0.01
    18   1    -0.07   0.20  -0.08    -0.03   0.35  -0.19    -0.19   0.29  -0.09
    19   1     0.10   0.15   0.02     0.56   0.12  -0.03     0.22   0.12  -0.01
    20   1     0.00  -0.03   0.03    -0.05   0.04  -0.07     0.17   0.27  -0.05
    21   1     0.03   0.04   0.06    -0.08  -0.10  -0.12    -0.34  -0.28  -0.18
    22   1    -0.00   0.03  -0.01     0.01  -0.11  -0.00     0.06  -0.26   0.47
    23   1    -0.12   0.13   0.38     0.06  -0.04  -0.18    -0.01   0.01   0.05
    24   1    -0.09  -0.10  -0.09     0.07   0.08   0.14    -0.01  -0.01   0.00
    25   1     0.09   0.09  -0.14    -0.02  -0.12   0.15     0.01   0.01  -0.01
    26   1     0.07   0.23  -0.19     0.15  -0.09  -0.13    -0.13   0.04   0.09
    27   1    -0.03   0.01  -0.18    -0.08   0.03  -0.25     0.05  -0.08   0.19
    28   1    -0.08   0.00  -0.34    -0.04   0.01  -0.00     0.06  -0.04  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    214.0535               230.2849               260.6062
 Red. masses --      1.9155                 1.3070                 1.1319
 Frc consts  --      0.0517                 0.0408                 0.0453
 IR Inten    --      0.0129                 0.0275                 0.0123
 RamAct Fr= 1--      0.3565                 0.4022                 0.0807
  Dep-P Fr= 1--      0.7395                 0.6473                 0.3107
  Dep-U Fr= 1--      0.8503                 0.7859                 0.4741
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0008
 Beta2  Fr= 1--      0.0505                 0.0527                 0.0064
 AlphaG Fr= 1--      0.0008                 0.0065                 0.0005
 Gamma2 Fr= 1--     -0.0341                -0.0880                -0.0180
 Delta2 Fr= 1--      0.0079                -0.1197                 0.0111
 Raman1 Fr= 1--       1.426                  1.609                  0.323
 ROA1   Fr= 1--      -3.020                -12.281                 -1.371
 CID1   Fr= 1--      -2.117                 -7.634                 -4.246
 Raman2 Fr= 1--       0.606                  0.632                  0.077
 ROA2   Fr= 1--      -0.882                 -1.155                 -0.520
 CID2   Fr= 1--      -1.454                 -1.827                 -6.788
 Raman3 Fr= 1--       1.213                  1.264                  0.153
 ROA3   Fr= 1--      -3.020                -12.281                 -1.371
 CID3   Fr= 1--      -2.490                 -9.714                 -8.955
 RC180  Fr= 1--       0.701                  0.572                 -0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.02   0.02   0.01     0.03  -0.01   0.03
     2   6    -0.00   0.01   0.00     0.01   0.03   0.03     0.02  -0.02   0.00
     3   6     0.02  -0.02  -0.01    -0.03   0.02  -0.05     0.02   0.00   0.02
     4   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.01
     5   6    -0.00  -0.03   0.00     0.01   0.03   0.01    -0.01  -0.01  -0.02
     6   6     0.00  -0.06   0.02     0.01   0.03   0.06    -0.00  -0.00  -0.03
     7   6    -0.01  -0.08   0.01    -0.03  -0.02   0.03    -0.01   0.03  -0.02
     8   1    -0.00   0.02  -0.04     0.03   0.04   0.03     0.05  -0.03   0.06
     9   6    -0.06   0.09   0.02     0.07  -0.03  -0.05     0.01  -0.01   0.02
    10   1    -0.03   0.02   0.01    -0.03   0.04   0.04     0.04  -0.03  -0.01
    11   1    -0.01  -0.08  -0.03    -0.03   0.01  -0.04     0.01   0.00  -0.00
    12   6    -0.04  -0.09   0.03     0.02  -0.04   0.02    -0.05   0.02  -0.02
    13   6     0.10   0.17  -0.04    -0.03  -0.02  -0.03    -0.00  -0.01   0.02
    14   1    -0.02  -0.06   0.05     0.02   0.03   0.09    -0.00  -0.00  -0.07
    15   1    -0.00  -0.09   0.02    -0.05  -0.03   0.03    -0.02   0.04  -0.04
    16   1    -0.02  -0.11   0.01    -0.04  -0.03   0.06    -0.02   0.05  -0.01
    17   1    -0.14  -0.28   0.09     0.14   0.19  -0.03    -0.10  -0.04  -0.03
    18   1    -0.16   0.07   0.06     0.20  -0.30   0.11    -0.10   0.09  -0.02
    19   1     0.14  -0.11  -0.05    -0.29  -0.10   0.01     0.01   0.04  -0.01
    20   1     0.28   0.51  -0.15     0.09   0.32  -0.13    -0.01  -0.08   0.04
    21   1     0.11   0.00  -0.30    -0.27  -0.24  -0.28     0.02   0.03   0.07
    22   1     0.02   0.23   0.27     0.05  -0.20   0.31    -0.01   0.01  -0.03
    23   1     0.04  -0.00  -0.04    -0.05   0.01   0.05     0.01   0.01   0.05
    24   1     0.05   0.01   0.01    -0.05  -0.03  -0.10     0.01   0.01   0.04
    25   1     0.05  -0.06  -0.00    -0.04   0.09  -0.09     0.04  -0.01   0.02
    26   1    -0.04   0.05   0.02     0.23  -0.15  -0.09     0.31  -0.47  -0.06
    27   1    -0.03   0.22  -0.02    -0.02  -0.01  -0.22    -0.08   0.33  -0.40
    28   1    -0.18   0.10   0.09     0.06  -0.00   0.07    -0.20   0.10   0.52
                      7                      8                      9
                      A                      A                      A
 Frequencies --    302.5084               311.9920               384.4003
 Red. masses --      2.0979                 1.7307                 2.4166
 Frc consts  --      0.1131                 0.0993                 0.2104
 IR Inten    --      0.0053                 0.0033                 0.0539
 RamAct Fr= 1--      1.0839                 0.3686                 1.3801
  Dep-P Fr= 1--      0.2872                 0.1443                 0.5135
  Dep-U Fr= 1--      0.4462                 0.2522                 0.6785
 Alpha2 Fr= 1--      0.0115                 0.0058                 0.0064
 Beta2  Fr= 1--      0.0806                 0.0155                 0.1561
 AlphaG Fr= 1--     -0.0200                 0.0182                 0.0013
 Gamma2 Fr= 1--     -0.0978                -0.0818                 0.1227
 Delta2 Fr= 1--      0.0779                -0.1160                 0.0406
 Raman1 Fr= 1--       4.336                  1.474                  5.520
 ROA1   Fr= 1--      -6.894                -11.562                 13.078
 CID1   Fr= 1--      -1.590                 -7.842                  2.369
 Raman2 Fr= 1--       0.967                  0.186                  1.873
 ROA2   Fr= 1--      -2.970                 -1.035                  2.620
 CID2   Fr= 1--      -3.070                 -5.566                  1.399
 Raman3 Fr= 1--       1.935                  0.372                  3.746
 ROA3   Fr= 1--      -6.894                -11.562                 13.078
 CID3   Fr= 1--      -3.564                -31.097                  3.491
 RC180  Fr= 1--      -0.108                 -0.496                  0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02     0.03  -0.03  -0.03    -0.07   0.02   0.02
     2   6     0.02   0.08   0.03     0.01  -0.02   0.01     0.03   0.04   0.01
     3   6     0.09   0.04   0.01     0.07  -0.03   0.15    -0.10   0.02   0.01
     4   6    -0.01  -0.02  -0.04    -0.03  -0.01  -0.05    -0.10   0.04  -0.09
     5   6    -0.03  -0.01  -0.01     0.01   0.01  -0.05     0.03   0.04  -0.08
     6   6    -0.02   0.02   0.04     0.01  -0.02   0.00     0.02   0.03  -0.02
     7   6    -0.10  -0.02   0.02    -0.07  -0.03  -0.00    -0.06  -0.02  -0.04
     8   1     0.03   0.13  -0.04    -0.15  -0.02  -0.13    -0.08  -0.00   0.03
     9   6     0.16  -0.10  -0.02    -0.00   0.02  -0.02     0.04   0.06  -0.01
    10   1    -0.01   0.11   0.04    -0.00  -0.01   0.02     0.04   0.04   0.01
    11   1     0.00  -0.09  -0.10    -0.07  -0.02  -0.11    -0.18   0.09  -0.17
    12   6    -0.13  -0.06   0.01    -0.05   0.10  -0.06     0.08  -0.12  -0.05
    13   6    -0.02   0.01  -0.01     0.03   0.01   0.03     0.10  -0.05   0.19
    14   1    -0.07   0.02   0.08     0.03  -0.02   0.02     0.01   0.03   0.01
    15   1    -0.16  -0.04  -0.02    -0.08  -0.02  -0.02     0.00  -0.01  -0.00
    16   1    -0.13  -0.01   0.08    -0.10  -0.07   0.02    -0.08  -0.12  -0.06
    17   1    -0.27  -0.32   0.05     0.07   0.37  -0.20     0.08  -0.26   0.13
    18   1    -0.30   0.16   0.09     0.12  -0.15  -0.02     0.06  -0.10   0.00
    19   1     0.09  -0.08  -0.07    -0.38   0.11   0.04     0.20  -0.23  -0.23
    20   1    -0.07  -0.07   0.02     0.12   0.07   0.01     0.30  -0.24   0.23
    21   1     0.05   0.06   0.05    -0.05  -0.03  -0.00    -0.06   0.07   0.40
    22   1    -0.05   0.06  -0.10     0.03  -0.01   0.15     0.10  -0.06   0.27
    23   1     0.07   0.10  -0.04     0.18  -0.06  -0.17    -0.08  -0.02   0.03
    24   1     0.13   0.12   0.07     0.13   0.18   0.36    -0.11   0.09   0.09
    25   1     0.15  -0.06   0.04     0.14  -0.28   0.27    -0.04  -0.06   0.04
    26   1     0.15  -0.07  -0.02    -0.01   0.09  -0.02     0.06   0.08  -0.01
    27   1     0.06  -0.36   0.02     0.01   0.01   0.01     0.03   0.08  -0.03
    28   1     0.42  -0.10  -0.11    -0.03  -0.00  -0.09     0.00   0.05  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.0107               430.4381               451.9905
 Red. masses --      2.2832                 2.0798                 2.9778
 Frc consts  --      0.2046                 0.2270                 0.3584
 IR Inten    --      0.0136                 0.2588                 0.0651
 RamAct Fr= 1--      2.1297                 0.1224                 1.2383
  Dep-P Fr= 1--      0.1702                 0.6156                 0.7412
  Dep-U Fr= 1--      0.2908                 0.7621                 0.8514
 Alpha2 Fr= 1--      0.0313                 0.0003                 0.0002
 Beta2  Fr= 1--      0.1032                 0.0155                 0.1757
 AlphaG Fr= 1--      0.0036                 0.0003                -0.0014
 Gamma2 Fr= 1--      0.2440                 0.0312                -0.0785
 Delta2 Fr= 1--      0.1171                 0.0068                -0.0460
 Raman1 Fr= 1--       8.519                  0.490                  4.953
 ROA1   Fr= 1--      27.171                  3.211                 -9.009
 CID1   Fr= 1--       3.189                  6.558                 -1.819
 Raman2 Fr= 1--       1.239                  0.187                  2.109
 ROA2   Fr= 1--       4.919                  0.694                 -1.516
 CID2   Fr= 1--       3.971                  3.721                 -0.719
 Raman3 Fr= 1--       2.478                  0.373                  4.217
 ROA3   Fr= 1--      27.171                  3.211                 -9.009
 CID3   Fr= 1--      10.966                  8.606                 -2.136
 RC180  Fr= 1--      -0.418                  0.524                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09  -0.04    -0.02   0.06   0.08    -0.14   0.07   0.04
     2   6     0.13  -0.04   0.05    -0.03   0.04  -0.05    -0.01   0.11   0.05
     3   6    -0.07   0.02   0.00     0.00  -0.00   0.07    -0.11  -0.02   0.05
     4   6    -0.04   0.06  -0.01    -0.04   0.02  -0.06    -0.01  -0.03   0.10
     5   6     0.03   0.07  -0.00    -0.03   0.07  -0.01     0.08  -0.14  -0.05
     6   6     0.11  -0.01   0.04     0.01   0.02   0.01    -0.02  -0.00   0.01
     7   6     0.02  -0.03   0.03     0.18  -0.14  -0.06     0.07  -0.00   0.02
     8   1    -0.15  -0.09  -0.13     0.08   0.01   0.17    -0.13   0.07   0.05
     9   6     0.06   0.14  -0.01    -0.01  -0.03   0.02     0.07   0.05  -0.00
    10   1     0.10  -0.04   0.05    -0.01   0.01  -0.06    -0.01   0.12   0.05
    11   1    -0.08   0.08  -0.05    -0.06   0.07  -0.03    -0.04   0.07   0.15
    12   6    -0.11  -0.02   0.03    -0.01  -0.00   0.00    -0.10   0.03  -0.12
    13   6    -0.08  -0.06  -0.08    -0.08   0.01  -0.04     0.17  -0.10  -0.08
    14   1     0.19  -0.01   0.09     0.03   0.02   0.15    -0.20  -0.01  -0.00
    15   1     0.05   0.02   0.02     0.42  -0.17   0.18     0.19  -0.01   0.13
    16   1    -0.01  -0.13   0.04     0.26  -0.34  -0.33     0.14  -0.02  -0.12
    17   1    -0.24  -0.19   0.00     0.00  -0.03   0.06    -0.21   0.08  -0.40
    18   1    -0.22   0.11   0.19     0.01  -0.04   0.05    -0.17   0.13  -0.09
    19   1    -0.04  -0.06  -0.04    -0.02  -0.06  -0.08    -0.18   0.18   0.12
    20   1    -0.26  -0.11  -0.05    -0.11  -0.00  -0.03     0.22  -0.07  -0.09
    21   1    -0.17  -0.07  -0.06    -0.12   0.01  -0.04     0.23  -0.10  -0.10
    22   1     0.04  -0.21  -0.21    -0.04  -0.04  -0.07     0.12  -0.03  -0.04
    23   1     0.10  -0.26  -0.13    -0.08   0.18   0.13    -0.15   0.03   0.05
    24   1    -0.13   0.02   0.02     0.03   0.16   0.24    -0.03  -0.10  -0.06
    25   1    -0.09   0.02   0.01     0.12  -0.19   0.13    -0.17   0.08   0.02
    26   1     0.10   0.29  -0.00    -0.05  -0.13   0.02     0.14   0.08  -0.02
    27   1     0.13   0.27   0.00    -0.02  -0.04   0.02     0.01  -0.02  -0.05
    28   1    -0.14   0.10  -0.10     0.06   0.00   0.10     0.12   0.05  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.0596               526.2842               578.5710
 Red. masses --      3.0696                 2.5742                 3.0690
 Frc consts  --      0.4203                 0.4201                 0.6053
 IR Inten    --      0.3693                 0.2430                 0.7191
 RamAct Fr= 1--      3.8834                 1.4831                 1.6392
  Dep-P Fr= 1--      0.1441                 0.1362                 0.6732
  Dep-U Fr= 1--      0.2519                 0.2397                 0.8047
 Alpha2 Fr= 1--      0.0609                 0.0237                 0.0022
 Beta2  Fr= 1--      0.1631                 0.0593                 0.2198
 AlphaG Fr= 1--      0.0333                 0.0023                 0.0007
 Gamma2 Fr= 1--      0.2324                -0.1866                 0.1446
 Delta2 Fr= 1--      0.1438                -0.1312                 0.1421
 Raman1 Fr= 1--      15.533                  5.932                  6.557
 ROA1   Fr= 1--      26.915                -22.108                 18.428
 CID1   Fr= 1--       1.733                 -3.727                  2.810
 Raman2 Fr= 1--       1.957                  0.711                  2.638
 ROA2   Fr= 1--       4.429                 -3.428                  2.334
 CID2   Fr= 1--       2.263                 -4.822                  0.885
 Raman3 Fr= 1--       3.913                  1.422                  5.276
 ROA3   Fr= 1--      26.915                -22.108                 18.428
 CID3   Fr= 1--       6.878                -15.547                  3.493
 RC180  Fr= 1--      -0.496                 -0.521                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01     0.02  -0.09   0.03     0.12   0.02  -0.01
     2   6     0.13   0.04  -0.02    -0.04  -0.01   0.23    -0.01  -0.08   0.03
     3   6    -0.04   0.03   0.02     0.03  -0.11  -0.03     0.04   0.25   0.00
     4   6    -0.10  -0.06   0.10     0.09  -0.00  -0.05    -0.05   0.11   0.08
     5   6    -0.17  -0.12   0.05    -0.06   0.02  -0.05    -0.05  -0.03  -0.06
     6   6    -0.05  -0.10  -0.11    -0.12   0.10   0.03    -0.00  -0.10   0.05
     7   6     0.00  -0.04  -0.06     0.08   0.06  -0.05     0.03  -0.02   0.13
     8   1    -0.06  -0.06  -0.01    -0.13   0.14  -0.18    -0.09  -0.01  -0.11
     9   6     0.18   0.10  -0.00     0.02   0.01  -0.01    -0.08  -0.07  -0.01
    10   1     0.24   0.04  -0.05    -0.01  -0.06   0.21    -0.09  -0.09   0.04
    11   1     0.01  -0.11   0.20     0.12   0.04   0.04     0.01  -0.03   0.02
    12   6     0.06   0.02   0.00    -0.01  -0.03  -0.07    -0.01  -0.05  -0.17
    13   6    -0.12   0.07   0.05    -0.05   0.06   0.02    -0.01  -0.00   0.01
    14   1    -0.16  -0.11  -0.11    -0.11   0.10  -0.05     0.05  -0.10   0.03
    15   1     0.11   0.07  -0.04     0.13  -0.17   0.18     0.27   0.08   0.27
    16   1     0.03  -0.07  -0.13     0.24   0.15  -0.29     0.08  -0.23  -0.07
    17   1     0.23   0.20   0.12     0.03  -0.05   0.02    -0.00  -0.02  -0.18
    18   1     0.15  -0.05  -0.36     0.01  -0.05  -0.09    -0.01  -0.04  -0.24
    19   1     0.15   0.13   0.14     0.03  -0.08  -0.15     0.01  -0.02  -0.14
    20   1    -0.04   0.13   0.03     0.06   0.04   0.02     0.15  -0.08   0.03
    21   1    -0.01   0.05   0.00    -0.01   0.08   0.05    -0.07   0.05   0.11
    22   1    -0.21   0.18   0.12    -0.12   0.14   0.08    -0.04   0.03   0.11
    23   1     0.03  -0.06  -0.03     0.16  -0.30  -0.11     0.25  -0.07  -0.14
    24   1    -0.00   0.01  -0.02    -0.06  -0.13  -0.02    -0.08   0.07  -0.15
    25   1    -0.03   0.05   0.00     0.03  -0.06  -0.05    -0.01   0.45  -0.10
    26   1     0.24   0.13  -0.01     0.29   0.18  -0.05    -0.08  -0.07  -0.01
    27   1     0.15   0.08  -0.04    -0.12  -0.08  -0.17    -0.08  -0.09   0.00
    28   1     0.18   0.09  -0.04    -0.02  -0.03  -0.17    -0.07  -0.07  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    667.8785               786.9762               790.2816
 Red. masses --      2.6108                 2.1724                 1.8277
 Frc consts  --      0.6861                 0.7927                 0.6725
 IR Inten    --      0.1234                 0.8280                 0.4148
 RamAct Fr= 1--     16.0688                 5.8766                 6.9576
  Dep-P Fr= 1--      0.0090                 0.1161                 0.1252
  Dep-U Fr= 1--      0.0179                 0.2081                 0.2225
 Alpha2 Fr= 1--      0.3496                 0.0989                 0.1145
 Beta2  Fr= 1--      0.0478                 0.2038                 0.2581
 AlphaG Fr= 1--      0.0005                 0.0048                -0.1959
 Gamma2 Fr= 1--      0.1807                -0.0204                -2.3564
 Delta2 Fr= 1--      0.0728                 0.1060                -1.7277
 Raman1 Fr= 1--      64.275                 23.506                 27.830
 ROA1   Fr= 1--      19.675                  1.431               -281.500
 CID1   Fr= 1--       0.306                  0.061                -10.115
 Raman2 Fr= 1--       0.574                  2.446                  3.097
 ROA2   Fr= 1--       3.754                 -1.339                -42.732
 CID2   Fr= 1--       6.539                 -0.547                -13.799
 Raman3 Fr= 1--       1.148                  4.892                  6.193
 ROA3   Fr= 1--      19.675                  1.431               -281.500
 CID3   Fr= 1--      17.139                  0.292                -45.451
 RC180  Fr= 1--      -0.964                 -0.584                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01   0.04     0.06  -0.12  -0.07    -0.09   0.06  -0.05
     2   6    -0.01  -0.02   0.08     0.01  -0.01  -0.09     0.01  -0.07   0.11
     3   6    -0.00   0.12  -0.01    -0.02  -0.02  -0.04    -0.02   0.09  -0.08
     4   6    -0.10   0.03  -0.08    -0.01   0.08  -0.07     0.03   0.04  -0.08
     5   6     0.03  -0.04   0.05    -0.03  -0.04   0.01    -0.03  -0.06   0.02
     6   6    -0.09  -0.00  -0.09    -0.12   0.06   0.03     0.05  -0.08   0.02
     7   6    -0.03  -0.01  -0.09    -0.02   0.05   0.17     0.06   0.04  -0.01
     8   1    -0.19   0.09  -0.14     0.37  -0.23   0.15     0.20   0.08   0.09
     9   6    -0.04  -0.03  -0.00     0.07   0.04  -0.01    -0.02  -0.03   0.03
    10   1     0.07  -0.11   0.05    -0.04   0.04  -0.07     0.04   0.05   0.12
    11   1    -0.13  -0.01  -0.18    -0.05   0.01  -0.21     0.11  -0.05  -0.05
    12   6     0.03   0.05   0.21    -0.00  -0.00   0.02    -0.01  -0.02   0.01
    13   6     0.11  -0.07  -0.05     0.03  -0.03  -0.02    -0.01  -0.01   0.01
    14   1    -0.17  -0.01  -0.21    -0.20   0.06  -0.14     0.11  -0.08  -0.04
    15   1     0.16  -0.02   0.09     0.13  -0.13   0.45    -0.04   0.07  -0.12
    16   1     0.06  -0.13  -0.32     0.11  -0.05  -0.13     0.02   0.11   0.11
    17   1     0.01   0.07   0.15     0.01   0.03   0.01     0.03   0.05  -0.00
    18   1     0.01   0.08   0.19    -0.00   0.01  -0.05    -0.00  -0.00  -0.14
    19   1     0.03   0.10   0.30     0.01   0.04   0.08     0.03   0.06   0.11
    20   1     0.03  -0.02  -0.06     0.10   0.00  -0.03    -0.02   0.03  -0.01
    21   1     0.18  -0.12  -0.12     0.14  -0.03  -0.04     0.07  -0.03  -0.04
    22   1     0.13  -0.09  -0.11    -0.05   0.07   0.01    -0.05   0.05   0.00
    23   1     0.23  -0.17  -0.14    -0.18   0.06   0.17    -0.32   0.06   0.16
    24   1    -0.13   0.10   0.01    -0.05   0.15   0.16     0.16   0.44   0.24
    25   1     0.11   0.13  -0.08    -0.09  -0.21   0.11    -0.01  -0.34   0.18
    26   1     0.09   0.01  -0.03    -0.07  -0.03   0.02     0.18   0.17  -0.01
    27   1    -0.12  -0.11  -0.09     0.15   0.09   0.09    -0.08   0.01  -0.10
    28   1    -0.01  -0.05  -0.06     0.09   0.06   0.07    -0.21  -0.10  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    831.0843               862.9291               888.2313
 Red. masses --      2.2147                 2.3821                 2.1386
 Frc consts  --      0.9013                 1.0451                 0.9941
 IR Inten    --      0.5753                 0.6841                 0.7077
 RamAct Fr= 1--      2.4836                 9.7547                 4.3261
  Dep-P Fr= 1--      0.1499                 0.6489                 0.3100
  Dep-U Fr= 1--      0.2608                 0.7870                 0.4733
 Alpha2 Fr= 1--      0.0384                 0.0177                 0.0431
 Beta2  Fr= 1--      0.1079                 1.2796                 0.3412
 AlphaG Fr= 1--      0.0375                 0.1458                 0.0311
 Gamma2 Fr= 1--      0.0116                 7.0759                -2.8741
 Delta2 Fr= 1--      0.1799                 3.2367                -0.9577
 Raman1 Fr= 1--       9.934                 39.019                 17.304
 ROA1   Fr= 1--       6.875                782.859               -306.562
 CID1   Fr= 1--       0.692                 20.064                -17.716
 Raman2 Fr= 1--       1.295                 15.355                  4.095
 ROA2   Fr= 1--      -1.160                143.927                -61.318
 CID2   Fr= 1--      -0.896                  9.373                -14.975
 Raman3 Fr= 1--       2.590                 30.710                  8.189
 ROA3   Fr= 1--       6.875                782.859               -306.562
 CID3   Fr= 1--       2.654                 25.492                -37.434
 RC180  Fr= 1--      -0.478                  0.574                 -0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05   0.07     0.11  -0.02   0.02    -0.12   0.09   0.08
     2   6     0.02  -0.00  -0.05    -0.03   0.07  -0.01     0.04  -0.04  -0.03
     3   6    -0.03   0.13   0.04    -0.04  -0.08  -0.01     0.05  -0.04  -0.01
     4   6     0.16   0.05  -0.08    -0.12   0.03  -0.07    -0.04  -0.06  -0.10
     5   6    -0.04  -0.08   0.03    -0.05  -0.11   0.04     0.05  -0.05   0.03
     6   6     0.01   0.13   0.02     0.12   0.03   0.14     0.05   0.03  -0.05
     7   6    -0.01  -0.11  -0.05     0.05   0.11  -0.08     0.04   0.07   0.15
     8   1    -0.29  -0.14   0.00     0.04   0.07  -0.07    -0.38   0.15  -0.09
     9   6     0.01   0.00  -0.02    -0.04   0.01  -0.03     0.02  -0.03  -0.02
    10   1     0.01  -0.12  -0.06    -0.20   0.05   0.02     0.05  -0.17  -0.04
    11   1     0.26  -0.00   0.01    -0.18   0.12  -0.07    -0.20  -0.10  -0.38
    12   6    -0.01  -0.03  -0.00    -0.02  -0.05  -0.00     0.01  -0.03  -0.02
    13   6    -0.01  -0.03   0.01    -0.01  -0.04   0.01    -0.07   0.03   0.04
    14   1    -0.01   0.13   0.14     0.17   0.03   0.35    -0.01   0.03  -0.28
    15   1    -0.30  -0.38  -0.11     0.09   0.33  -0.20     0.13   0.09   0.22
    16   1    -0.09  -0.03   0.15    -0.02   0.07   0.03     0.08   0.00   0.04
    17   1     0.03   0.05  -0.04     0.03   0.08  -0.06    -0.02  -0.00  -0.12
    18   1    -0.01   0.00  -0.19    -0.02   0.00  -0.27    -0.01   0.01  -0.05
    19   1     0.05   0.08   0.14     0.06   0.11   0.21     0.00   0.03   0.07
    20   1     0.03   0.10  -0.03     0.05   0.06  -0.02    -0.15   0.12   0.02
    21   1     0.24  -0.05  -0.07     0.22  -0.06  -0.06     0.04  -0.01  -0.05
    22   1    -0.17   0.18   0.03    -0.15   0.15   0.05    -0.10   0.08  -0.01
    23   1     0.06  -0.14  -0.05     0.18  -0.04  -0.05     0.11  -0.05  -0.15
    24   1    -0.20   0.09   0.07    -0.19  -0.06   0.06     0.08  -0.10  -0.09
    25   1    -0.05   0.18   0.02     0.09  -0.09  -0.08     0.23   0.02  -0.15
    26   1    -0.14  -0.06   0.01    -0.17  -0.16  -0.00    -0.14  -0.01   0.01
    27   1     0.12   0.10   0.08    -0.02  -0.08   0.07     0.17   0.17   0.08
    28   1    -0.03   0.02   0.07     0.15   0.06   0.11    -0.17  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    906.5927               931.4419               952.0107
 Red. masses --      2.1038                 2.0777                 1.5605
 Frc consts  --      1.0188                 1.0620                 0.8333
 IR Inten    --      0.3266                 0.2165                 0.9709
 RamAct Fr= 1--      1.3453                 5.0809                 4.5185
  Dep-P Fr= 1--      0.7429                 0.4467                 0.7148
  Dep-U Fr= 1--      0.8525                 0.6176                 0.8337
 Alpha2 Fr= 1--      0.0002                 0.0316                 0.0027
 Beta2  Fr= 1--      0.1911                 0.5230                 0.6278
 AlphaG Fr= 1--      0.0004                -0.0247                 0.0006
 Gamma2 Fr= 1--      0.0920                -4.7748                 0.2912
 Delta2 Fr= 1--     -0.2813                -2.7537                 0.3077
 Raman1 Fr= 1--       5.381                 20.324                 18.074
 ROA1   Fr= 1--      -0.174               -546.498                 37.798
 CID1   Fr= 1--      -0.032                -26.890                  2.091
 Raman2 Fr= 1--       2.294                  6.276                  7.534
 ROA2   Fr= 1--       4.457                -92.565                  4.526
 CID2   Fr= 1--       1.943                -14.750                  0.601
 Raman3 Fr= 1--       4.587                 12.551                 15.068
 ROA3   Fr= 1--      -0.174               -546.498                 37.798
 CID3   Fr= 1--      -0.038                -43.542                  2.508
 RC180  Fr= 1--       0.705                  0.235                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05    -0.07  -0.04   0.04     0.01   0.03   0.03
     2   6     0.07  -0.09   0.01    -0.03  -0.04  -0.04     0.01  -0.00  -0.00
     3   6     0.05   0.01  -0.02     0.02   0.10  -0.00    -0.01  -0.03  -0.03
     4   6    -0.07  -0.05   0.09    -0.00  -0.10  -0.04    -0.01  -0.00   0.01
     5   6    -0.04  -0.00   0.00    -0.03   0.04  -0.02    -0.09   0.05   0.04
     6   6     0.03   0.16   0.08    -0.08  -0.11   0.12     0.00   0.02  -0.03
     7   6    -0.10   0.02  -0.10     0.05   0.09  -0.05     0.02  -0.01   0.05
     8   1     0.11   0.01   0.04    -0.21  -0.19   0.05    -0.07   0.11  -0.06
     9   6     0.02  -0.07  -0.02     0.08   0.04  -0.02    -0.00  -0.00  -0.01
    10   1     0.01  -0.05   0.02    -0.21  -0.07  -0.00     0.05  -0.09  -0.02
    11   1     0.01  -0.06   0.20     0.07  -0.25  -0.09     0.02   0.02   0.08
    12   6    -0.01  -0.00   0.00     0.01   0.06   0.01    -0.11   0.03  -0.04
    13   6     0.02  -0.03  -0.02     0.03  -0.02  -0.03     0.11  -0.04   0.01
    14   1     0.17   0.16   0.17    -0.05  -0.12   0.28     0.03   0.02  -0.04
    15   1     0.16  -0.07   0.21     0.04   0.12  -0.09    -0.05  -0.03   0.01
    16   1     0.02  -0.10  -0.39     0.19   0.43  -0.12    -0.01  -0.00   0.12
    17   1     0.01   0.01   0.02    -0.01  -0.08   0.15     0.20   0.09   0.52
    18   1    -0.00  -0.01  -0.04     0.05  -0.04   0.23     0.11  -0.21  -0.36
    19   1     0.01   0.01   0.02    -0.06  -0.13  -0.25     0.15  -0.12  -0.33
    20   1     0.14  -0.04  -0.03     0.11  -0.05  -0.02    -0.17   0.07  -0.01
    21   1     0.07  -0.00   0.01     0.01   0.00   0.01     0.15  -0.16  -0.16
    22   1    -0.04   0.04   0.04     0.02  -0.01   0.02     0.21  -0.15  -0.19
    23   1    -0.12   0.07   0.04    -0.01  -0.05  -0.02     0.07  -0.06  -0.04
    24   1     0.28  -0.00  -0.11     0.01   0.10   0.01     0.01   0.03   0.02
    25   1     0.02  -0.01   0.01     0.12   0.05  -0.03     0.06  -0.10  -0.02
    26   1    -0.12   0.11   0.02    -0.12  -0.06   0.02    -0.05  -0.03  -0.00
    27   1     0.25   0.30   0.09     0.21   0.12   0.14     0.02   0.01   0.02
    28   1    -0.41  -0.12  -0.04     0.10   0.08   0.13    -0.00   0.00   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    966.3209               969.1494              1011.2833
 Red. masses --      1.5736                 1.6870                 1.5167
 Frc consts  --      0.8658                 0.9335                 0.9139
 IR Inten    --      1.5741                 0.5026                 0.0983
 RamAct Fr= 1--      2.0200                 2.0813                 1.2599
  Dep-P Fr= 1--      0.5828                 0.7500                 0.4122
  Dep-U Fr= 1--      0.7364                 0.8571                 0.5837
 Alpha2 Fr= 1--      0.0063                 0.0000                 0.0089
 Beta2  Fr= 1--      0.2479                 0.2973                 0.1226
 AlphaG Fr= 1--      0.0107                -0.0000                 0.0107
 Gamma2 Fr= 1--     -1.7289                 3.0095                -0.7506
 Delta2 Fr= 1--     -1.3802                 2.2635                 0.0850
 Raman1 Fr= 1--       8.080                  8.325                  5.040
 ROA1   Fr= 1--    -210.136                361.341                -69.342
 CID1   Fr= 1--     -26.007                 43.404                -13.759
 Raman2 Fr= 1--       2.975                  3.568                  1.471
 ROA2   Fr= 1--     -30.452                 54.119                -18.696
 CID2   Fr= 1--     -10.236                 15.169                -12.710
 Raman3 Fr= 1--       5.950                  7.136                  2.942
 ROA3   Fr= 1--    -210.136                361.341                -69.342
 CID3   Fr= 1--     -35.316                 50.638                -23.571
 RC180  Fr= 1--       0.473                  0.714                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03    -0.00   0.07   0.03     0.07   0.06  -0.02
     2   6    -0.04   0.01  -0.01     0.01  -0.02   0.00     0.06   0.01  -0.03
     3   6     0.09  -0.02   0.08    -0.01  -0.06  -0.03    -0.07  -0.01   0.03
     4   6     0.04   0.05  -0.05     0.02   0.05   0.01    -0.02  -0.03  -0.00
     5   6    -0.05  -0.00  -0.05    -0.09   0.01  -0.10    -0.01  -0.00   0.00
     6   6     0.04  -0.03  -0.00     0.01  -0.02  -0.01    -0.04   0.01  -0.00
     7   6    -0.02   0.02   0.01     0.03  -0.02   0.06     0.05  -0.01   0.02
     8   1    -0.00  -0.21   0.11    -0.09   0.23  -0.10     0.04   0.04  -0.02
     9   6     0.01   0.00   0.05     0.02  -0.00  -0.02    -0.03  -0.06   0.02
    10   1     0.07   0.27  -0.00    -0.02  -0.15  -0.01     0.22   0.07  -0.05
    11   1    -0.04   0.00  -0.23     0.06   0.13   0.16    -0.10   0.09  -0.01
    12   6    -0.04   0.02   0.05    -0.01   0.02   0.10     0.03   0.08  -0.02
    13   6    -0.00  -0.04  -0.02    -0.00  -0.03  -0.12    -0.04  -0.08   0.01
    14   1     0.16  -0.03   0.08     0.05  -0.02  -0.03    -0.07   0.02   0.06
    15   1     0.14   0.18   0.03    -0.09  -0.05  -0.01    -0.10  -0.03  -0.09
    16   1    -0.05  -0.18  -0.04    -0.05  -0.00   0.20     0.02   0.13   0.17
    17   1     0.09   0.06   0.26     0.03   0.06   0.13    -0.07  -0.15   0.05
    18   1     0.03  -0.05  -0.10    -0.00   0.03   0.02     0.03  -0.00   0.38
    19   1     0.08  -0.02  -0.03     0.02   0.06   0.14    -0.12  -0.16  -0.32
    20   1     0.14  -0.01  -0.04     0.56  -0.31  -0.06     0.13   0.12  -0.06
    21   1     0.12  -0.01  -0.02    -0.17   0.19   0.24     0.36  -0.07  -0.08
    22   1    -0.11   0.11   0.04    -0.12   0.07   0.24    -0.31   0.28   0.08
    23   1    -0.08   0.24  -0.00     0.09  -0.06  -0.06     0.08   0.05  -0.03
    24   1    -0.03  -0.32  -0.18     0.02   0.00   0.02    -0.09  -0.02   0.02
    25   1    -0.01   0.34  -0.09     0.06  -0.12  -0.03    -0.04   0.01   0.00
    26   1     0.25   0.18   0.01    -0.12  -0.06   0.00     0.09   0.12  -0.00
    27   1    -0.12  -0.03  -0.13     0.11   0.06   0.07    -0.04   0.04  -0.08
    28   1    -0.07  -0.05  -0.14    -0.00   0.02   0.07    -0.23  -0.12  -0.13
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1014.2616              1027.3514              1057.1050
 Red. masses --      1.9927                 1.4127                 2.1296
 Frc consts  --      1.2078                 0.8785                 1.4021
 IR Inten    --      0.4369                 0.7530                 1.7641
 RamAct Fr= 1--      6.6992                 0.6041                 0.8239
  Dep-P Fr= 1--      0.3866                 0.7212                 0.7235
  Dep-U Fr= 1--      0.5576                 0.8380                 0.8396
 Alpha2 Fr= 1--      0.0520                 0.0003                 0.0004
 Beta2  Fr= 1--      0.6226                 0.0844                 0.1153
 AlphaG Fr= 1--     -0.0643                 0.0044                 0.0001
 Gamma2 Fr= 1--      1.2430                 0.6895                -0.4031
 Delta2 Fr= 1--     -0.2142                 0.1934                 0.2962
 Raman1 Fr= 1--      26.797                  2.416                  3.296
 ROA1   Fr= 1--     112.470                 72.377                -29.217
 CID1   Fr= 1--       4.197                 29.951                 -8.865
 Raman2 Fr= 1--       7.471                  1.013                  1.384
 ROA2   Fr= 1--      31.544                 15.000                -12.043
 CID2   Fr= 1--       4.222                 14.815                 -8.704
 Raman3 Fr= 1--      14.941                  2.025                  2.767
 ROA3   Fr= 1--     112.470                 72.377                -29.217
 CID3   Fr= 1--       7.527                 35.740                -10.559
 RC180  Fr= 1--       0.115                  0.676                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.04    -0.04  -0.03   0.02     0.04   0.05  -0.02
     2   6     0.06   0.08  -0.04    -0.04  -0.02   0.03     0.13   0.07   0.03
     3   6     0.03   0.06  -0.05     0.03   0.02  -0.05    -0.10   0.01   0.07
     4   6    -0.07  -0.12   0.03     0.01   0.00   0.04     0.09  -0.11  -0.03
     5   6    -0.02   0.02   0.01    -0.01  -0.00   0.00     0.02  -0.03  -0.07
     6   6     0.02   0.12  -0.03     0.06   0.02  -0.05     0.09  -0.04   0.01
     7   6     0.05   0.00   0.06    -0.05   0.00   0.00    -0.07   0.05   0.01
     8   1    -0.13  -0.29   0.08    -0.01   0.05  -0.01     0.05   0.02   0.01
     9   6    -0.09  -0.01   0.03    -0.01   0.08  -0.01    -0.10  -0.01  -0.05
    10   1     0.33   0.09  -0.09    -0.09  -0.21   0.02    -0.01   0.12   0.06
    11   1     0.03  -0.35  -0.05     0.08  -0.10   0.05     0.07  -0.24  -0.19
    12   6    -0.01  -0.02  -0.00     0.02   0.05  -0.02    -0.04   0.03   0.04
    13   6     0.02   0.01  -0.06    -0.03  -0.06   0.01    -0.03   0.02  -0.01
    14   1    -0.04   0.12   0.14     0.20   0.03  -0.14     0.14  -0.04  -0.14
    15   1     0.03   0.14  -0.05     0.15   0.15   0.07     0.04  -0.22   0.31
    16   1     0.01   0.09   0.19    -0.11  -0.32  -0.05     0.17   0.20  -0.35
    17   1     0.00   0.02  -0.03    -0.05  -0.10   0.03     0.08   0.06   0.25
    18   1    -0.02   0.01  -0.06     0.03  -0.01   0.23     0.04  -0.06  -0.09
    19   1     0.01   0.03   0.06    -0.07  -0.10  -0.21     0.07  -0.02  -0.05
    20   1     0.21  -0.17  -0.01     0.08   0.10  -0.04     0.03  -0.03  -0.00
    21   1    -0.17   0.10   0.13     0.26  -0.06  -0.06    -0.09   0.05   0.04
    22   1     0.04  -0.05   0.10    -0.22   0.20   0.05    -0.04   0.02   0.03
    23   1    -0.02  -0.16   0.04    -0.09  -0.17   0.05    -0.04  -0.08   0.05
    24   1     0.08   0.17   0.04     0.18   0.10  -0.02    -0.10  -0.03   0.02
    25   1     0.16  -0.12  -0.01    -0.05  -0.11   0.07    -0.33   0.08   0.14
    26   1     0.16   0.04  -0.02    -0.04  -0.18  -0.01    -0.20  -0.20  -0.04
    27   1    -0.28  -0.18  -0.17    -0.11  -0.18   0.03    -0.12  -0.16   0.02
    28   1     0.02  -0.04  -0.12     0.36   0.15   0.12     0.09   0.03   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1075.7647              1103.1734              1110.7312
 Red. masses --      1.4522                 1.6305                 1.3373
 Frc consts  --      0.9902                 1.1691                 0.9721
 IR Inten    --      0.2279                 1.5978                 1.4193
 RamAct Fr= 1--      7.3054                 5.2023                 1.2819
  Dep-P Fr= 1--      0.5055                 0.4675                 0.5331
  Dep-U Fr= 1--      0.6716                 0.6372                 0.6954
 Alpha2 Fr= 1--      0.0351                 0.0297                 0.0054
 Beta2  Fr= 1--      0.8177                 0.5524                 0.1486
 AlphaG Fr= 1--      0.0152                -0.0373                 0.0419
 Gamma2 Fr= 1--     -0.3288                 2.0667                -3.0635
 Delta2 Fr= 1--      0.6052                 1.0330                -1.6035
 Raman1 Fr= 1--      29.221                 20.809                  5.128
 ROA1   Fr= 1--     -12.196                231.462               -345.404
 CID1   Fr= 1--      -0.417                 11.123                -67.362
 Raman2 Fr= 1--       9.812                  6.629                  1.783
 ROA2   Fr= 1--     -12.733                 41.338                -60.695
 CID2   Fr= 1--      -1.298                  6.236                -34.043
 Raman3 Fr= 1--      19.624                 13.259                  3.566
 ROA3   Fr= 1--     -12.196                231.462               -345.404
 CID3   Fr= 1--      -0.621                 17.457                -96.864
 RC180  Fr= 1--       0.343                  0.274                  0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.03    -0.05  -0.01   0.06    -0.01   0.05   0.00
     2   6     0.07   0.09   0.02     0.10   0.04  -0.06     0.04  -0.06  -0.04
     3   6     0.03  -0.03  -0.03     0.04  -0.03  -0.07    -0.00  -0.02  -0.01
     4   6     0.06   0.06   0.01    -0.00   0.08  -0.01     0.04   0.03   0.03
     5   6     0.01  -0.03  -0.03     0.00  -0.02  -0.01     0.01   0.06  -0.01
     6   6    -0.04  -0.04   0.00     0.01  -0.09   0.06    -0.07  -0.02  -0.01
     7   6    -0.03  -0.00  -0.01    -0.06   0.05  -0.00    -0.03  -0.03   0.01
     8   1     0.02   0.14  -0.04    -0.26  -0.24   0.07    -0.02   0.10  -0.04
     9   6    -0.02  -0.06  -0.05    -0.06  -0.01   0.00    -0.02   0.04   0.02
    10   1     0.13  -0.04  -0.01     0.12   0.19  -0.04     0.28  -0.31  -0.12
    11   1     0.09  -0.09  -0.11     0.07   0.38   0.41    -0.21   0.11  -0.26
    12   6    -0.00   0.02   0.01     0.01   0.01  -0.00    -0.01  -0.05   0.01
    13   6    -0.00   0.02   0.01    -0.00  -0.00   0.02     0.00  -0.02   0.01
    14   1    -0.43  -0.05   0.34    -0.05  -0.09   0.02     0.19  -0.01   0.49
    15   1     0.22   0.44  -0.12    -0.07  -0.27   0.22     0.04   0.07   0.00
    16   1    -0.13  -0.28   0.02     0.03   0.01  -0.20     0.12   0.24  -0.11
    17   1     0.01  -0.01   0.07    -0.02  -0.03  -0.02     0.02   0.07  -0.09
    18   1     0.02  -0.01   0.06    -0.00   0.01   0.08    -0.04   0.03  -0.14
    19   1    -0.01  -0.03  -0.06    -0.03  -0.01  -0.02     0.05   0.08   0.17
    20   1    -0.08   0.01   0.02    -0.07   0.05   0.01    -0.01   0.06  -0.01
    21   1    -0.04  -0.01  -0.02     0.05  -0.04  -0.04     0.10  -0.03  -0.04
    22   1     0.03  -0.03  -0.02    -0.00   0.00  -0.04    -0.04   0.04  -0.02
    23   1    -0.06  -0.20   0.05     0.06  -0.05  -0.05    -0.02  -0.10   0.00
    24   1     0.03   0.02   0.02     0.13   0.05  -0.01     0.21  -0.01  -0.07
    25   1    -0.17  -0.05   0.10     0.35  -0.15  -0.16    -0.15  -0.02   0.08
    26   1    -0.22  -0.04  -0.01     0.04  -0.03  -0.02     0.12  -0.05  -0.01
    27   1     0.12   0.11   0.06    -0.15  -0.12  -0.07    -0.15  -0.14  -0.06
    28   1    -0.21  -0.06   0.02     0.03  -0.02  -0.06     0.17   0.05  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7536              1180.1803              1193.5164
 Red. masses --      1.5369                 2.0135                 1.9676
 Frc consts  --      1.1496                 1.6523                 1.6514
 IR Inten    --      0.2296                 0.9376                 2.6898
 RamAct Fr= 1--      5.0005                 4.3226                 9.1568
  Dep-P Fr= 1--      0.5751                 0.6787                 0.5778
  Dep-U Fr= 1--      0.7302                 0.8086                 0.7324
 Alpha2 Fr= 1--      0.0165                 0.0054                 0.0296
 Beta2  Fr= 1--      0.6086                 0.5825                 1.1178
 AlphaG Fr= 1--      0.0165                -0.0645                 0.0823
 Gamma2 Fr= 1--     -1.2682                -0.7480                 1.7466
 Delta2 Fr= 1--     -0.7757                -1.0209                 0.9889
 Raman1 Fr= 1--      20.002                 17.290                 36.627
 ROA1   Fr= 1--    -146.572               -104.477                199.313
 CID1   Fr= 1--      -7.328                 -6.043                  5.442
 Raman2 Fr= 1--       7.303                  6.991                 13.413
 ROA2   Fr= 1--     -24.232                 -9.784                 34.006
 CID2   Fr= 1--      -3.318                 -1.400                  2.535
 Raman3 Fr= 1--      14.606                 13.981                 26.826
 ROA3   Fr= 1--    -146.572               -104.477                199.313
 CID3   Fr= 1--     -10.035                 -7.473                  7.430
 RC180  Fr= 1--       0.460                  0.617                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.06     0.04  -0.06   0.08    -0.05  -0.02  -0.03
     2   6     0.06   0.02   0.09    -0.10   0.09  -0.01     0.07   0.06   0.09
     3   6     0.06   0.04   0.03    -0.01   0.02  -0.08     0.05  -0.03   0.04
     4   6    -0.06   0.01   0.02     0.03  -0.00   0.10    -0.04   0.02  -0.03
     5   6     0.04  -0.01  -0.04     0.09   0.07  -0.05    -0.11   0.12   0.02
     6   6    -0.02   0.02  -0.00     0.03  -0.04  -0.07    -0.03  -0.03  -0.09
     7   6     0.07  -0.04  -0.02    -0.05  -0.07   0.02    -0.00  -0.04   0.04
     8   1     0.08  -0.20   0.08    -0.11  -0.04  -0.01     0.11   0.06   0.01
     9   6    -0.03   0.01  -0.07     0.05  -0.05   0.00    -0.02  -0.02  -0.08
    10   1    -0.07  -0.02   0.11    -0.26   0.35   0.05     0.07   0.20   0.10
    11   1    -0.36   0.34  -0.10    -0.18   0.07  -0.15     0.23  -0.22   0.15
    12   6    -0.03   0.01   0.02    -0.04  -0.02   0.02     0.06  -0.05  -0.01
    13   6    -0.03  -0.01   0.01    -0.05  -0.05   0.01     0.04  -0.05   0.02
    14   1    -0.21   0.01  -0.13     0.19  -0.03  -0.06     0.36  -0.02   0.06
    15   1    -0.16  -0.15  -0.15     0.06   0.08  -0.00     0.01   0.04   0.00
    16   1     0.03   0.17   0.18     0.16   0.30  -0.16     0.11   0.23  -0.00
    17   1     0.05   0.05   0.13     0.07   0.11   0.07    -0.06  -0.02  -0.30
    18   1     0.02  -0.04  -0.09    -0.01  -0.02  -0.18    -0.10   0.15   0.08
    19   1     0.06   0.00  -0.01     0.10   0.05   0.08    -0.09   0.07   0.19
    20   1     0.01   0.04  -0.01     0.06   0.12  -0.04     0.01   0.07  -0.02
    21   1     0.04   0.00   0.01     0.18  -0.02  -0.01     0.21  -0.10  -0.10
    22   1    -0.08   0.07   0.02    -0.20   0.17   0.02     0.03  -0.00  -0.09
    23   1    -0.19  -0.07   0.10     0.14  -0.07  -0.02    -0.10   0.04   0.03
    24   1     0.38  -0.08  -0.21     0.06   0.19   0.07    -0.27  -0.11   0.07
    25   1     0.06   0.11  -0.01     0.05  -0.19   0.02     0.14   0.10  -0.09
    26   1    -0.23  -0.18  -0.03    -0.03   0.16   0.03    -0.27  -0.14  -0.03
    27   1     0.04  -0.05   0.11     0.16   0.20   0.01     0.10   0.02   0.10
    28   1     0.08   0.06   0.12    -0.22  -0.08  -0.01    -0.04   0.03   0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1227.7599              1233.1765              1240.2200
 Red. masses --      1.8132                 1.4208                 2.2432
 Frc consts  --      1.6104                 1.2730                 2.0329
 IR Inten    --      0.3166                 1.4882                 1.4598
 RamAct Fr= 1--      6.4242                 2.9268                 1.7298
  Dep-P Fr= 1--      0.7464                 0.6673                 0.2627
  Dep-U Fr= 1--      0.8548                 0.8005                 0.4161
 Alpha2 Fr= 1--      0.0004                 0.0043                 0.0198
 Beta2  Fr= 1--      0.9152                 0.3905                 0.1200
 AlphaG Fr= 1--      0.0027                -0.0218                -0.0199
 Gamma2 Fr= 1--      1.5632                -1.3330                -0.9279
 Delta2 Fr= 1--      0.1741                 0.1678                -0.1870
 Raman1 Fr= 1--      25.697                 11.707                  6.919
 ROA1   Fr= 1--     155.640               -122.602                -95.059
 CID1   Fr= 1--       6.057                -10.472                -13.739
 Raman2 Fr= 1--      10.983                  4.686                  1.440
 ROA2   Fr= 1--      36.124                -33.335                -20.772
 CID2   Fr= 1--       3.289                 -7.114                -14.428
 Raman3 Fr= 1--      21.965                  9.371                  2.879
 ROA3   Fr= 1--     155.640               -122.602                -95.059
 CID3   Fr= 1--       7.086                -13.083                -33.014
 RC180  Fr= 1--       0.710                  0.601                 -0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.02    -0.05  -0.04  -0.03    -0.02   0.01   0.04
     2   6     0.03  -0.05   0.01    -0.01  -0.02  -0.03     0.05   0.01  -0.03
     3   6    -0.06  -0.00   0.01     0.06   0.01   0.01     0.04  -0.04  -0.01
     4   6     0.01  -0.08  -0.04    -0.06   0.04  -0.00     0.03   0.05   0.02
     5   6     0.09   0.16  -0.06     0.09  -0.00   0.00    -0.04   0.12   0.23
     6   6    -0.05  -0.01   0.07     0.07   0.01   0.02     0.02  -0.05   0.08
     7   6     0.01   0.02  -0.00    -0.04  -0.06   0.01    -0.02  -0.01  -0.08
     8   1    -0.09  -0.21   0.07     0.23   0.38  -0.11    -0.04   0.07  -0.01
     9   6    -0.01   0.01  -0.00    -0.01   0.02   0.02    -0.01  -0.00   0.00
    10   1    -0.01  -0.01   0.02     0.11  -0.23  -0.07    -0.05   0.13   0.01
    11   1     0.26  -0.10   0.32     0.15  -0.07   0.21    -0.14  -0.08  -0.39
    12   6    -0.04  -0.07   0.03    -0.03   0.01  -0.00     0.00  -0.03  -0.06
    13   6    -0.03  -0.05   0.02    -0.03  -0.01  -0.01     0.01  -0.04  -0.08
    14   1    -0.32  -0.01  -0.23    -0.37  -0.01  -0.01    -0.29  -0.07  -0.51
    15   1     0.14   0.29  -0.09     0.03   0.04  -0.00    -0.03  -0.05  -0.08
    16   1    -0.14  -0.30   0.10     0.18   0.39  -0.15    -0.02   0.01  -0.09
    17   1     0.09   0.17  -0.04     0.03   0.03   0.10    -0.04  -0.02  -0.18
    18   1    -0.06   0.03  -0.24     0.04  -0.07  -0.07    -0.03   0.02  -0.15
    19   1     0.13   0.09   0.20     0.07  -0.02  -0.06    -0.05  -0.05  -0.09
    20   1     0.05   0.14  -0.04     0.05   0.02  -0.02     0.30  -0.14  -0.06
    21   1     0.19  -0.03  -0.02     0.03   0.03   0.04     0.05   0.10   0.12
    22   1    -0.15   0.14  -0.01    -0.10   0.08   0.06    -0.05   0.00   0.16
    23   1     0.05   0.12  -0.04    -0.10   0.02   0.02     0.01  -0.10  -0.00
    24   1     0.01   0.00  -0.01    -0.35  -0.02   0.14     0.05  -0.03  -0.01
    25   1     0.07  -0.03  -0.04     0.15   0.10  -0.09    -0.22   0.03   0.10
    26   1     0.01  -0.04  -0.01     0.07  -0.00   0.00     0.01  -0.01  -0.00
    27   1    -0.03  -0.05   0.00    -0.05  -0.04  -0.02    -0.04  -0.03  -0.02
    28   1     0.05   0.02  -0.00     0.05   0.01  -0.02    -0.01  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1252.6331              1268.4988              1301.0037
 Red. masses --      1.5828                 1.5510                 1.8904
 Frc consts  --      1.4633                 1.4704                 1.8852
 IR Inten    --      1.3783                 1.5234                 2.2020
 RamAct Fr= 1--      4.2835                 4.7763                 9.5066
  Dep-P Fr= 1--      0.3353                 0.5507                 0.4052
  Dep-U Fr= 1--      0.5022                 0.7103                 0.5767
 Alpha2 Fr= 1--      0.0394                 0.0182                 0.0691
 Beta2  Fr= 1--      0.3585                 0.5654                 0.9138
 AlphaG Fr= 1--      0.1155                 0.0297                -0.0214
 Gamma2 Fr= 1--     -0.3625                 0.7558                 1.6803
 Delta2 Fr= 1--     -0.9853                 0.8585                 0.6415
 Raman1 Fr= 1--      17.134                 19.105                 38.026
 ROA1   Fr= 1--     -66.330                100.030                181.842
 CID1   Fr= 1--      -3.871                  5.236                  4.782
 Raman2 Fr= 1--       4.302                  6.785                 10.966
 ROA2   Fr= 1--      -0.817                 11.271                 35.196
 CID2   Fr= 1--      -0.190                  1.661                  3.210
 Raman3 Fr= 1--       8.604                 13.570                 21.931
 ROA3   Fr= 1--     -66.330                100.030                181.842
 CID3   Fr= 1--      -7.709                  7.371                  8.291
 RC180  Fr= 1--       0.004                  0.421                  0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.05     0.03   0.04   0.01    -0.03  -0.00   0.02
     2   6     0.04  -0.05   0.07     0.00  -0.02  -0.00     0.05  -0.07  -0.01
     3   6    -0.04  -0.02  -0.03    -0.01  -0.02  -0.00    -0.00  -0.03  -0.05
     4   6     0.07   0.01   0.04     0.01   0.03  -0.05     0.01   0.07   0.15
     5   6     0.06  -0.05   0.09    -0.08  -0.04  -0.03    -0.08   0.00  -0.14
     6   6    -0.05   0.03  -0.04     0.03   0.06   0.05     0.03   0.03   0.06
     7   6    -0.04  -0.04  -0.00    -0.05  -0.14   0.04     0.03  -0.01  -0.05
     8   1    -0.10  -0.32   0.11    -0.15  -0.26   0.08    -0.01   0.05  -0.00
     9   6    -0.01   0.02  -0.04    -0.01   0.00   0.01    -0.02   0.03   0.00
    10   1     0.03   0.07   0.09    -0.06  -0.01   0.01    -0.05   0.14   0.04
    11   1    -0.11   0.12  -0.13     0.09   0.09   0.13    -0.09  -0.39  -0.47
    12   6    -0.03   0.03  -0.03     0.03   0.01   0.01     0.03  -0.00   0.03
    13   6    -0.02   0.02  -0.04     0.03   0.02   0.01     0.03  -0.01   0.05
    14   1     0.11   0.03   0.14    -0.07   0.06  -0.34    -0.29   0.02  -0.15
    15   1     0.14   0.27  -0.07     0.22   0.48  -0.17    -0.07  -0.16  -0.03
    16   1     0.00  -0.00  -0.06     0.19   0.42  -0.09    -0.02   0.02   0.06
    17   1     0.00  -0.02   0.07    -0.04  -0.06  -0.02     0.00  -0.00  -0.01
    18   1     0.04  -0.07  -0.03    -0.01   0.04   0.11    -0.04   0.08   0.09
    19   1     0.04  -0.05  -0.15    -0.08  -0.01   0.01    -0.06   0.03   0.09
    20   1     0.09  -0.10  -0.01    -0.09  -0.03   0.03    -0.16   0.10   0.02
    21   1    -0.09   0.09   0.09    -0.05  -0.04  -0.06    -0.00  -0.10  -0.10
    22   1    -0.02  -0.01   0.11     0.08  -0.05  -0.05     0.01   0.04  -0.13
    23   1     0.07   0.35  -0.09     0.05  -0.01  -0.02     0.18   0.34  -0.14
    24   1    -0.35   0.08   0.20     0.22  -0.03  -0.10    -0.18   0.05   0.11
    25   1     0.38  -0.08  -0.21    -0.19  -0.01   0.08     0.11  -0.11  -0.06
    26   1    -0.09  -0.11  -0.02     0.04   0.01   0.00     0.04  -0.07  -0.01
    27   1     0.02  -0.06   0.07    -0.02  -0.02  -0.00    -0.05  -0.07   0.02
    28   1     0.07   0.05   0.07     0.02   0.00  -0.01     0.09   0.03  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1323.1731              1332.6604              1350.7865
 Red. masses --      1.3851                 1.6423                 1.4411
 Frc consts  --      1.4288                 1.7184                 1.5492
 IR Inten    --      0.1637                 1.1869                 0.0926
 RamAct Fr= 1--      4.3141                 4.2133                 2.6715
  Dep-P Fr= 1--      0.6527                 0.5107                 0.6115
  Dep-U Fr= 1--      0.7899                 0.6761                 0.7589
 Alpha2 Fr= 1--      0.0075                 0.0198                 0.0068
 Beta2  Fr= 1--      0.5679                 0.4748                 0.3379
 AlphaG Fr= 1--      0.0055                 0.0227                 0.0006
 Gamma2 Fr= 1--      4.0305                -2.3793                -0.9430
 Delta2 Fr= 1--      2.3839                -1.1882                -0.7654
 Raman1 Fr= 1--      17.257                 16.853                 10.686
 ROA1   Fr= 1--     463.218               -266.432               -115.023
 CID1   Fr= 1--      26.843                -15.809                -10.764
 Raman2 Fr= 1--       6.815                  5.697                  4.055
 ROA2   Fr= 1--      77.661                -47.597                -16.510
 CID2   Fr= 1--      11.395                 -8.355                 -4.072
 Raman3 Fr= 1--      13.631                 11.394                  8.110
 ROA3   Fr= 1--     463.218               -266.432               -115.023
 CID3   Fr= 1--      33.984                -23.383                -14.183
 RC180  Fr= 1--       0.580                  0.352                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.01     0.01   0.00  -0.06    -0.01  -0.09   0.04
     2   6     0.02  -0.01  -0.06    -0.01   0.06  -0.00    -0.01  -0.08   0.00
     3   6     0.03   0.03   0.01    -0.04   0.03   0.04    -0.08   0.05   0.03
     4   6     0.03  -0.05   0.03     0.10  -0.08   0.03     0.05  -0.05  -0.04
     5   6     0.01  -0.03  -0.04    -0.12   0.05  -0.02    -0.04   0.01   0.03
     6   6    -0.10   0.01   0.10     0.08  -0.01  -0.01     0.03   0.01  -0.02
     7   6     0.01  -0.02  -0.02    -0.03   0.01   0.01    -0.02  -0.00   0.02
     8   1     0.13   0.31  -0.09     0.08  -0.03  -0.00     0.17   0.44  -0.16
     9   6    -0.01   0.00  -0.01     0.01  -0.01   0.03    -0.01   0.02  -0.03
    10   1     0.19   0.25  -0.06    -0.20  -0.42  -0.03     0.20   0.48   0.03
    11   1    -0.16   0.21  -0.01    -0.27   0.33  -0.11    -0.05   0.20   0.05
    12   6    -0.01  -0.00   0.00     0.04  -0.01   0.02     0.01  -0.01  -0.00
    13   6     0.01   0.01   0.01     0.03  -0.01   0.01     0.01   0.01  -0.01
    14   1     0.42   0.03  -0.40    -0.30  -0.02  -0.01    -0.21   0.00   0.12
    15   1     0.08   0.19  -0.11     0.08   0.06   0.08     0.07   0.09   0.03
    16   1    -0.06  -0.10   0.05    -0.02  -0.05  -0.05     0.01   0.00  -0.03
    17   1     0.03   0.02   0.05    -0.06  -0.03  -0.14    -0.00   0.00  -0.04
    18   1    -0.01   0.00   0.03    -0.02   0.07  -0.04    -0.03   0.04   0.02
    19   1     0.02   0.02   0.03    -0.10  -0.02   0.03    -0.03  -0.02  -0.02
    20   1    -0.07   0.02   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    21   1    -0.06  -0.01  -0.00    -0.01  -0.05  -0.04    -0.01   0.00  -0.01
    22   1     0.02   0.00  -0.02     0.02   0.00  -0.07     0.02  -0.02   0.01
    23   1    -0.16  -0.34   0.09    -0.20  -0.20   0.11     0.15   0.27  -0.06
    24   1    -0.25   0.04   0.13    -0.11   0.03   0.06     0.37   0.03  -0.16
    25   1     0.13   0.04  -0.05     0.43   0.01  -0.20     0.16  -0.01  -0.06
    26   1     0.01  -0.03  -0.02     0.04   0.07   0.03    -0.01  -0.07  -0.03
    27   1     0.01   0.03   0.00    -0.05   0.00  -0.07     0.04  -0.01   0.08
    28   1     0.06   0.01  -0.03    -0.08  -0.04  -0.05     0.10   0.05   0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1359.4811              1376.3828              1391.6089
 Red. masses --      1.3066                 1.4115                 1.4558
 Frc consts  --      1.4228                 1.5754                 1.6611
 IR Inten    --      0.7444                 0.5669                 1.2329
 RamAct Fr= 1--      2.1810                 3.2330                 3.1333
  Dep-P Fr= 1--      0.6346                 0.6574                 0.4094
  Dep-U Fr= 1--      0.7765                 0.7933                 0.5810
 Alpha2 Fr= 1--      0.0046                 0.0054                 0.0224
 Beta2  Fr= 1--      0.2822                 0.4274                 0.3034
 AlphaG Fr= 1--      0.0032                -0.0197                 0.0531
 Gamma2 Fr= 1--      1.8088                -0.5105                 1.7418
 Delta2 Fr= 1--      0.0093                -0.4270                 0.0380
 Raman1 Fr= 1--       8.724                 12.932                 12.533
 ROA1   Fr= 1--     173.943                -62.672                168.427
 CID1   Fr= 1--      19.939                 -4.846                 13.438
 Raman2 Fr= 1--       3.387                  5.129                  3.641
 ROA2   Fr= 1--      43.337                 -8.835                 41.499
 CID2   Fr= 1--      12.795                 -1.723                 11.399
 Raman3 Fr= 1--       6.774                 10.258                  7.281
 ROA3   Fr= 1--     173.943                -62.672                168.427
 CID3   Fr= 1--      25.679                 -6.109                 23.131
 RC180  Fr= 1--       0.553                  0.587                  0.162
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.00     0.03   0.00  -0.03    -0.05  -0.09   0.01
     2   6    -0.08   0.05   0.05    -0.07   0.04   0.01     0.10   0.10  -0.01
     3   6     0.04   0.02  -0.04    -0.10  -0.02   0.06    -0.04   0.02   0.00
     4   6     0.01  -0.05   0.00     0.01   0.09   0.02     0.00   0.01  -0.01
     5   6    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.00
     6   6     0.04  -0.03   0.05    -0.00  -0.02   0.04    -0.07  -0.01   0.03
     7   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.01  -0.00
     8   1    -0.05  -0.11   0.02     0.03  -0.05   0.00     0.14   0.19  -0.05
     9   6     0.02  -0.01  -0.04     0.01  -0.02  -0.02    -0.04  -0.04   0.03
    10   1     0.68  -0.26  -0.13     0.39  -0.14  -0.10    -0.31  -0.48  -0.01
    11   1    -0.14   0.20   0.03     0.20  -0.37  -0.18     0.03  -0.02   0.00
    12   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.00   0.01   0.01
    13   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.00
    14   1     0.01  -0.03  -0.17     0.12  -0.02  -0.16     0.30   0.00  -0.18
    15   1    -0.01  -0.05   0.04    -0.07  -0.03  -0.07     0.01   0.08  -0.07
    16   1    -0.00  -0.02  -0.03     0.03  -0.00  -0.09    -0.00  -0.02   0.00
    17   1     0.02   0.02  -0.02     0.05   0.01   0.09    -0.04  -0.02  -0.02
    18   1    -0.03   0.04   0.02    -0.00  -0.03   0.10     0.04  -0.04  -0.06
    19   1    -0.01   0.00   0.02     0.04   0.06   0.05     0.01  -0.02  -0.02
    20   1    -0.03   0.02  -0.00    -0.03   0.00  -0.00     0.06  -0.03   0.01
    21   1    -0.03  -0.01   0.01    -0.01   0.02   0.03     0.06   0.00  -0.02
    22   1    -0.02   0.03  -0.01    -0.02   0.01   0.05     0.05  -0.07  -0.01
    23   1     0.13   0.37  -0.09    -0.10  -0.16   0.07     0.22   0.49  -0.17
    24   1    -0.13   0.06   0.07     0.34  -0.07  -0.17     0.17   0.00  -0.09
    25   1    -0.25  -0.01   0.12     0.46  -0.06  -0.22     0.05  -0.04  -0.01
    26   1    -0.13   0.03  -0.01    -0.05   0.07  -0.00     0.12   0.12   0.00
    27   1     0.07   0.02   0.04     0.06   0.05   0.02     0.00   0.13  -0.05
    28   1    -0.03   0.03   0.12    -0.02   0.01   0.07     0.10  -0.04  -0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1404.2098              1411.5867              1422.4428
 Red. masses --      1.2616                 1.2346                 1.2177
 Frc consts  --      1.4656                 1.4494                 1.4516
 IR Inten    --      6.5069                 4.4366                 7.0671
 RamAct Fr= 1--      0.4246                 0.2090                 0.1372
  Dep-P Fr= 1--      0.0951                 0.6444                 0.1114
  Dep-U Fr= 1--      0.1737                 0.7837                 0.2005
 Alpha2 Fr= 1--      0.0075                 0.0004                 0.0023
 Beta2  Fr= 1--      0.0123                 0.0273                 0.0046
 AlphaG Fr= 1--      0.0111                 0.0003                -0.0012
 Gamma2 Fr= 1--      0.1095                -0.0902                -0.0030
 Delta2 Fr= 1--     -0.0098                 0.0576                 0.0120
 Raman1 Fr= 1--       1.698                  0.836                  0.549
 ROA1   Fr= 1--      10.195                 -6.815                  0.092
 CID1   Fr= 1--       6.003                 -8.150                  0.167
 Raman2 Fr= 1--       0.148                  0.328                  0.055
 ROA2   Fr= 1--       2.706                 -2.625                 -0.168
 CID2   Fr= 1--      18.340                 -8.012                 -3.062
 Raman3 Fr= 1--       0.295                  0.655                  0.110
 ROA3   Fr= 1--      10.195                 -6.815                  0.092
 CID3   Fr= 1--      34.553                -10.400                  0.834
 RC180  Fr= 1--      -0.653                  0.567                 -0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
     2   6     0.03   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     4   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.01
     5   6    -0.01   0.01   0.03    -0.01   0.01   0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.01     0.02  -0.00  -0.02     0.02  -0.00   0.00
     7   6    -0.00   0.00   0.01    -0.00   0.01   0.00    -0.01  -0.00  -0.01
     8   1     0.03   0.03  -0.00    -0.05  -0.06   0.01    -0.02  -0.01  -0.00
     9   6     0.01   0.01   0.01    -0.11  -0.07  -0.03    -0.01  -0.00   0.00
    10   1    -0.15  -0.06   0.02     0.01   0.04   0.01    -0.02  -0.00   0.00
    11   1    -0.02   0.06   0.02    -0.01   0.02   0.00    -0.05   0.05  -0.02
    12   6    -0.01  -0.02  -0.10     0.00  -0.00  -0.01    -0.02  -0.02  -0.09
    13   6     0.08  -0.05  -0.03     0.02  -0.01  -0.01    -0.08   0.05   0.02
    14   1    -0.01  -0.00   0.01    -0.08  -0.01   0.05    -0.07  -0.00  -0.00
    15   1    -0.02   0.02  -0.02    -0.02  -0.02   0.01     0.06  -0.01   0.06
    16   1     0.02  -0.03  -0.05     0.00  -0.02  -0.02    -0.03   0.03   0.06
    17   1     0.19  -0.00   0.32     0.01  -0.00   0.02     0.17   0.00   0.29
    18   1    -0.05  -0.04   0.41    -0.01   0.01   0.03    -0.04  -0.06   0.39
    19   1     0.08   0.27   0.33    -0.01   0.02   0.03     0.11   0.25   0.30
    20   1    -0.32   0.14  -0.05    -0.06   0.04  -0.01     0.36  -0.15   0.05
    21   1    -0.32   0.06   0.20    -0.06   0.01   0.04     0.37  -0.04  -0.20
    22   1    -0.21   0.29   0.13    -0.05   0.07   0.02     0.23  -0.34  -0.11
    23   1     0.04   0.07  -0.03    -0.06  -0.07   0.04    -0.02  -0.00   0.01
    24   1    -0.01  -0.02  -0.03    -0.06  -0.01   0.03    -0.06  -0.01   0.01
    25   1    -0.04  -0.02   0.03    -0.02   0.01   0.01    -0.01  -0.02   0.02
    26   1    -0.04  -0.03   0.02     0.45   0.30  -0.11     0.04   0.01  -0.01
    27   1    -0.05  -0.04  -0.05     0.30   0.39   0.27     0.01   0.02   0.01
    28   1    -0.06  -0.02  -0.05     0.50   0.07   0.20     0.03   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1486.2610              1487.8690              1493.9979
 Red. masses --      1.0566                 1.0579                 1.0630
 Frc consts  --      1.3752                 1.3798                 1.3980
 IR Inten    --      1.2080                 0.9042                 3.9325
 RamAct Fr= 1--      1.7183                 7.9739                 2.1443
  Dep-P Fr= 1--      0.7134                 0.7500                 0.7452
  Dep-U Fr= 1--      0.8327                 0.8571                 0.8540
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0002
 Beta2  Fr= 1--      0.2385                 1.1391                 0.3052
 AlphaG Fr= 1--     -0.0063                -0.0001                -0.0027
 Gamma2 Fr= 1--      0.6460                -0.4762                -0.8446
 Delta2 Fr= 1--      0.4468                 0.2752                 0.0789
 Raman1 Fr= 1--       6.873                 31.895                  8.577
 ROA1   Fr= 1--      76.310                -36.909                -78.552
 CID1   Fr= 1--      11.103                 -1.157                 -9.158
 Raman2 Fr= 1--       2.862                 13.669                  3.662
 ROA2   Fr= 1--      11.929                -13.631                -20.901
 CID2   Fr= 1--       4.168                 -0.997                 -5.707
 Raman3 Fr= 1--       5.723                 27.339                  7.325
 ROA3   Fr= 1--      76.310                -36.909                -78.552
 CID3   Fr= 1--      13.333                 -1.350                -10.724
 RC180  Fr= 1--       0.665                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6    -0.01  -0.02   0.00    -0.00  -0.03  -0.00    -0.01  -0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     5   6    -0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.00  -0.02     0.01   0.00   0.02     0.00   0.00   0.02
     8   1    -0.02   0.01  -0.02     0.24  -0.06   0.17     0.35  -0.09   0.25
     9   6     0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    10   1    -0.00  -0.00  -0.00    -0.02  -0.02   0.00     0.06   0.04   0.00
    11   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.01   0.02   0.00
    12   6    -0.04   0.01   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.00
    13   6     0.02   0.01   0.03     0.00   0.02  -0.02    -0.01  -0.02   0.01
    14   1     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.03   0.00   0.02
    15   1     0.12  -0.03   0.12    -0.10   0.00  -0.08    -0.10   0.02  -0.09
    16   1    -0.06   0.07   0.14     0.05  -0.05  -0.10     0.05  -0.05  -0.11
    17   1    -0.07   0.15  -0.28     0.20   0.33  -0.03    -0.13  -0.17  -0.03
    18   1     0.13  -0.25   0.20    -0.19   0.23   0.13     0.14  -0.19  -0.01
    19   1     0.47   0.03  -0.08     0.07  -0.11  -0.15     0.06   0.08   0.08
    20   1     0.14  -0.22   0.08    -0.23  -0.27   0.09     0.20   0.31  -0.10
    21   1    -0.29  -0.24  -0.27     0.18  -0.04  -0.14    -0.07   0.10   0.19
    22   1    -0.14   0.26  -0.22    -0.01  -0.03   0.35     0.07  -0.06  -0.29
    23   1    -0.02   0.02   0.02     0.18  -0.15  -0.19     0.27  -0.21  -0.28
    24   1     0.08   0.11   0.10     0.09   0.18   0.16     0.07   0.11   0.09
    25   1    -0.03   0.14  -0.08    -0.05   0.22  -0.12    -0.03   0.14  -0.08
    26   1    -0.02   0.03   0.01    -0.08   0.01   0.02    -0.14  -0.01   0.03
    27   1    -0.01   0.01  -0.03    -0.01   0.10  -0.10    -0.01   0.16  -0.14
    28   1     0.01   0.00   0.02     0.09  -0.01  -0.05     0.15  -0.01  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1498.6975              1499.0458              1505.3903
 Red. masses --      1.0529                 1.0533                 1.0693
 Frc consts  --      1.3934                 1.3946                 1.4277
 IR Inten    --      4.2601                 3.5160                 2.1380
 RamAct Fr= 1--      3.5484                 3.2988                13.0382
  Dep-P Fr= 1--      0.7494                 0.6828                 0.7471
  Dep-U Fr= 1--      0.8567                 0.8115                 0.8553
 Alpha2 Fr= 1--      0.0000                 0.0039                 0.0006
 Beta2  Fr= 1--      0.5067                 0.4462                 1.8585
 AlphaG Fr= 1--      0.0002                -0.0001                -0.0013
 Gamma2 Fr= 1--      2.5518                -1.4562                 2.6944
 Delta2 Fr= 1--      1.5029                -1.0915                -0.2354
 Raman1 Fr= 1--      14.194                 13.195                 52.153
 ROA1   Fr= 1--     293.064               -174.723                251.131
 CID1   Fr= 1--      20.648                -13.241                  4.815
 Raman2 Fr= 1--       6.080                  5.354                 22.303
 ROA2   Fr= 1--      49.219                -26.216                 66.549
 CID2   Fr= 1--       8.095                 -4.897                  2.984
 Raman3 Fr= 1--      12.160                 10.708                 44.605
 ROA3   Fr= 1--     293.064               -174.723                251.131
 CID3   Fr= 1--      24.101                -16.317                  5.630
 RC180  Fr= 1--       0.713                  0.623                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
     2   6    -0.02   0.03  -0.00     0.02  -0.01  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.02  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
     5   6    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.02  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01   0.00   0.00
     7   6     0.00   0.00   0.02     0.01   0.00   0.02     0.01   0.00   0.02
     8   1     0.09  -0.03   0.06     0.08   0.02   0.04    -0.09   0.01  -0.05
     9   6    -0.02   0.04  -0.01     0.02  -0.01  -0.04    -0.00  -0.00   0.01
    10   1     0.01  -0.05  -0.02    -0.08   0.01  -0.00     0.03   0.05   0.01
    11   1    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    12   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.02
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.03
    14   1     0.02  -0.00  -0.02    -0.00   0.01   0.00    -0.04   0.00  -0.00
    15   1    -0.09   0.01  -0.08    -0.11   0.03  -0.11    -0.14   0.02  -0.13
    16   1     0.04  -0.06  -0.10     0.05  -0.07  -0.11     0.07  -0.08  -0.16
    17   1    -0.03   0.02  -0.08    -0.05  -0.02  -0.06    -0.20  -0.07  -0.26
    18   1     0.05  -0.09   0.05     0.06  -0.10   0.04     0.23  -0.35   0.09
    19   1     0.13   0.02  -0.01     0.10   0.03   0.02     0.36   0.09   0.03
    20   1    -0.02   0.02  -0.01    -0.03   0.03  -0.01    -0.25  -0.05   0.01
    21   1     0.04   0.02   0.02     0.07   0.04   0.04     0.26   0.09   0.06
    22   1     0.02  -0.03   0.03     0.04  -0.06   0.05     0.06  -0.14   0.34
    23   1     0.08  -0.04  -0.07     0.05  -0.05  -0.06    -0.07   0.05   0.07
    24   1     0.03   0.04   0.03     0.01   0.05   0.05    -0.11  -0.14  -0.12
    25   1    -0.01   0.04  -0.02    -0.02   0.06  -0.03     0.02  -0.19   0.12
    26   1     0.45  -0.43  -0.11     0.09   0.45  -0.02    -0.12  -0.03   0.03
    27   1     0.21  -0.17   0.51    -0.11  -0.44   0.11    -0.02   0.13  -0.13
    28   1    -0.32  -0.06  -0.22    -0.25   0.13   0.59     0.13  -0.02  -0.10
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1507.1191              1519.3962              1526.8140
 Red. masses --      1.0710                 1.0643                 1.0831
 Frc consts  --      1.4333                 1.4476                 1.4876
 IR Inten    --     10.2064                 7.2456                 6.8999
 RamAct Fr= 1--      2.5810                 2.0040                 3.4743
  Dep-P Fr= 1--      0.6921                 0.7415                 0.5036
  Dep-U Fr= 1--      0.8181                 0.8515                 0.6699
 Alpha2 Fr= 1--      0.0026                 0.0003                 0.0169
 Beta2  Fr= 1--      0.3519                 0.2844                 0.3879
 AlphaG Fr= 1--     -0.0092                -0.0051                 0.0003
 Gamma2 Fr= 1--     -3.0359                -1.6685                 2.0527
 Delta2 Fr= 1--     -0.7293                -0.6977                 0.9267
 Raman1 Fr= 1--      10.324                  8.016                 13.897
 ROA1   Fr= 1--    -314.785               -182.497                226.710
 CID1   Fr= 1--     -30.491                -22.766                 16.313
 Raman2 Fr= 1--       4.223                  3.413                  4.655
 ROA2   Fr= 1--     -67.028                -34.462                 41.850
 CID2   Fr= 1--     -15.873                -10.097                  8.991
 Raman3 Fr= 1--       8.446                  6.826                  9.309
 ROA3   Fr= 1--    -314.785               -182.497                226.710
 CID3   Fr= 1--     -37.272                -26.735                 24.354
 RC180  Fr= 1--       0.636                  0.703                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.00     0.01   0.00  -0.00    -0.03   0.02   0.00
     2   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
     3   6    -0.00  -0.05  -0.00     0.01   0.03   0.00    -0.00   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.01
     5   6    -0.02  -0.02  -0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.01  -0.00     0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.02     0.01   0.00   0.04    -0.02  -0.01  -0.05
     8   1    -0.22   0.05  -0.16    -0.06   0.02  -0.04     0.23  -0.05   0.16
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1    -0.02  -0.02   0.00    -0.04  -0.00   0.01     0.01  -0.01  -0.01
    11   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.01   0.00  -0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.01
    13   6    -0.01  -0.03  -0.01    -0.01  -0.01   0.02     0.00  -0.01  -0.01
    14   1     0.02   0.00  -0.01    -0.00   0.01   0.01     0.01  -0.01   0.00
    15   1     0.11  -0.02   0.10    -0.23   0.05  -0.23     0.33  -0.05   0.31
    16   1    -0.05   0.06   0.12     0.12  -0.13  -0.27    -0.16   0.20   0.37
    17   1     0.06   0.17  -0.10     0.20   0.40  -0.12     0.05   0.19  -0.12
    18   1    -0.04   0.02   0.14    -0.18   0.20   0.19    -0.04   0.03   0.09
    19   1     0.17  -0.04  -0.09     0.18  -0.13  -0.22     0.16  -0.06  -0.12
    20   1    -0.06   0.37  -0.12     0.24   0.18  -0.06    -0.10   0.15  -0.05
    21   1     0.13   0.24   0.33    -0.13   0.02   0.08     0.06   0.12   0.16
    22   1     0.13  -0.20   0.01     0.04  -0.01  -0.30     0.04  -0.08   0.07
    23   1    -0.17   0.14   0.18    -0.05   0.03   0.05     0.17  -0.15  -0.19
    24   1     0.16   0.25   0.23    -0.11  -0.18  -0.16    -0.11  -0.21  -0.20
    25   1    -0.06   0.33  -0.18     0.04  -0.23   0.13     0.07  -0.28   0.15
    26   1    -0.01  -0.01   0.01    -0.02   0.01   0.01     0.04   0.04  -0.01
    27   1    -0.01   0.02  -0.02    -0.02   0.01  -0.03     0.01  -0.04   0.05
    28   1     0.01  -0.01  -0.03     0.02  -0.00  -0.00    -0.04   0.01   0.06
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3019.8670              3021.3210              3023.7470
 Red. masses --      1.0377                 1.0427                 1.0744
 Frc consts  --      5.5759                 5.6082                 5.7875
 IR Inten    --     22.2771                12.9046                 9.5695
 RamAct Fr= 1--    150.2832                 3.1759                69.3158
  Dep-P Fr= 1--      0.0197                 0.7444                 0.5654
  Dep-U Fr= 1--      0.0387                 0.8535                 0.7224
 Alpha2 Fr= 1--      3.1889                 0.0003                 0.2422
 Beta2  Fr= 1--      0.9690                 0.4518                 8.3451
 AlphaG Fr= 1--      0.0912                -0.0043                -0.2771
 Gamma2 Fr= 1--     -1.3985                 4.6058               -16.8709
 Delta2 Fr= 1--     -0.5155                 2.5266               -14.2952
 Raman1 Fr= 1--     601.133                 12.704                277.263
 ROA1   Fr= 1--    -150.754                523.010              -2077.048
 CID1   Fr= 1--      -0.251                 41.170                 -7.491
 Raman2 Fr= 1--      11.628                  5.421                100.141
 ROA2   Fr= 1--     -29.441                 90.327               -290.539
 CID2   Fr= 1--      -2.532                 16.662                 -2.901
 Raman3 Fr= 1--      23.255                 10.842                200.281
 ROA3   Fr= 1--    -150.754                523.010              -2077.048
 CID3   Fr= 1--      -6.483                 48.237                -10.371
 RC180  Fr= 1--      -0.923                  0.707                  0.445
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.02
     2   6     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.01   0.01  -0.06
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.03   0.03   0.07     0.02  -0.02  -0.04     0.03  -0.03  -0.04
     9   6    -0.04  -0.02  -0.02    -0.01  -0.00   0.00    -0.01  -0.01   0.01
    10   1    -0.04   0.02  -0.19     0.05  -0.03   0.26     0.14  -0.10   0.79
    11   1     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.05   0.03  -0.03
    12   6    -0.00  -0.00  -0.00     0.02  -0.00   0.03    -0.01   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.02  -0.01   0.00
    14   1     0.00  -0.12   0.00    -0.00   0.05  -0.00    -0.00   0.13  -0.00
    15   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
    16   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.02  -0.01   0.01
    17   1    -0.02   0.01   0.01     0.18  -0.11  -0.07     0.03  -0.02  -0.01
    18   1     0.04   0.03   0.00    -0.36  -0.26  -0.04     0.03   0.02   0.00
    19   1     0.01  -0.04   0.02    -0.06   0.37  -0.24     0.00  -0.01   0.01
    20   1     0.00   0.00   0.01    -0.02  -0.06  -0.23     0.01   0.04   0.14
    21   1    -0.00   0.01  -0.01     0.05  -0.36   0.25    -0.03   0.21  -0.15
    22   1    -0.01  -0.01  -0.00     0.35   0.27   0.05    -0.22  -0.16  -0.03
    23   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.18   0.02  -0.20
    24   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.05  -0.12   0.11
    25   1    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.01  -0.01  -0.02
    26   1     0.10  -0.03   0.63     0.01  -0.00   0.04    -0.00  -0.00  -0.01
    27   1     0.41  -0.20  -0.26     0.08  -0.04  -0.05     0.14  -0.07  -0.08
    28   1    -0.06   0.48  -0.14    -0.01   0.09  -0.02    -0.02   0.15  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3026.9132              3027.8711              3038.4451
 Red. masses --      1.0530                 1.0566                 1.0767
 Frc consts  --      5.6843                 5.7074                 5.8566
 IR Inten    --     26.0919                45.8577                82.6128
 RamAct Fr= 1--    128.7804               199.7547                49.8606
  Dep-P Fr= 1--      0.1630                 0.1358                 0.4319
  Dep-U Fr= 1--      0.2802                 0.2391                 0.6033
 Alpha2 Fr= 1--      1.9261                 3.2008                 0.3281
 Beta2  Fr= 1--      6.0149                 7.9599                 5.0134
 AlphaG Fr= 1--      0.4108                -0.1901                 0.3985
 Gamma2 Fr= 1--     21.6238                -0.4961                 5.4254
 Delta2 Fr= 1--      7.9908                 6.9363                 5.6356
 Raman1 Fr= 1--     515.122                799.019                199.442
 ROA1   Fr= 1--    2331.595                174.336                701.181
 CID1   Fr= 1--       4.526                  0.218                  3.516
 Raman2 Fr= 1--      72.178                 95.519                 60.161
 ROA2   Fr= 1--     455.046                -67.397                 85.126
 CID2   Fr= 1--       6.304                 -0.706                  1.415
 Raman3 Fr= 1--     144.357                191.038                120.323
 ROA3   Fr= 1--    2331.595                174.336                701.181
 CID3   Fr= 1--      16.152                  0.913                  5.828
 RC180  Fr= 1--      -0.440                 -0.522                  0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.03  -0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.02
     3   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
     4   6     0.01   0.01  -0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.01  -0.00    -0.00   0.02   0.00     0.00  -0.06   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.08  -0.09  -0.17    -0.08   0.09   0.16    -0.12   0.13   0.25
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    10   1     0.00  -0.00   0.01    -0.05   0.03  -0.26    -0.04   0.03  -0.22
    11   1    -0.11  -0.08   0.07     0.19   0.13  -0.12    -0.09  -0.07   0.06
    12   6     0.01   0.00   0.02     0.02  -0.00   0.02     0.00   0.00   0.01
    13   6     0.02  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.00   0.00
    14   1     0.01  -0.13   0.00     0.01  -0.20   0.00    -0.03   0.76   0.00
    15   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.04  -0.03  -0.04
    16   1    -0.04   0.01  -0.02     0.01  -0.00   0.01    -0.02   0.01  -0.01
    17   1     0.13  -0.08  -0.06     0.12  -0.08  -0.05     0.03  -0.02  -0.01
    18   1    -0.24  -0.18  -0.03    -0.32  -0.23  -0.03    -0.07  -0.05  -0.01
    19   1    -0.04   0.25  -0.16    -0.05   0.32  -0.21    -0.01   0.06  -0.04
    20   1     0.01   0.05   0.17     0.01   0.04   0.14     0.00   0.01   0.05
    21   1    -0.04   0.26  -0.18    -0.03   0.20  -0.14    -0.01   0.06  -0.04
    22   1    -0.24  -0.18  -0.03    -0.20  -0.15  -0.03    -0.07  -0.05  -0.01
    23   1     0.19  -0.02   0.22    -0.12   0.01  -0.14    -0.25   0.02  -0.29
    24   1    -0.14   0.37  -0.37     0.12  -0.31   0.31    -0.04   0.11  -0.11
    25   1     0.13   0.13   0.24    -0.10  -0.10  -0.19     0.08   0.09   0.16
    26   1     0.01  -0.00   0.04    -0.00   0.00  -0.02     0.01  -0.00   0.07
    27   1     0.02  -0.01  -0.01    -0.06   0.03   0.04     0.02  -0.00  -0.01
    28   1    -0.01   0.05  -0.01     0.01  -0.08   0.02     0.01  -0.06   0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3039.7185              3050.1306              3055.0251
 Red. masses --      1.0732                 1.0805                 1.0976
 Frc consts  --      5.8424                 5.9226                 6.0356
 IR Inten    --     34.6523                70.2164                17.8729
 RamAct Fr= 1--    198.5894               227.4405               122.2760
  Dep-P Fr= 1--      0.1069                 0.1418                 0.2362
  Dep-U Fr= 1--      0.1931                 0.2483                 0.3821
 Alpha2 Fr= 1--      3.4187                 3.5900                 1.5058
 Beta2  Fr= 1--      6.3926                 9.4130                 7.7876
 AlphaG Fr= 1--      0.0365                -0.9037                 0.1701
 Gamma2 Fr= 1--     -6.9503               -20.5037                -5.1766
 Delta2 Fr= 1--      3.6394                -9.8954                -8.0422
 Raman1 Fr= 1--     794.357                909.762                489.104
 ROA1   Fr= 1--    -550.771              -2285.009               -754.306
 CID1   Fr= 1--      -0.693                 -2.512                 -1.542
 Raman2 Fr= 1--      76.711                112.956                 93.451
 ROA2   Fr= 1--    -195.923               -412.926                -59.901
 CID2   Fr= 1--      -2.554                 -3.656                 -0.641
 Raman3 Fr= 1--     153.422                225.913                186.901
 ROA3   Fr= 1--    -550.771              -2285.009               -754.306
 CID3   Fr= 1--      -3.590                -10.115                 -4.036
 RC180  Fr= 1--      -0.614                 -0.503                 -0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.02     0.01   0.00   0.02     0.01  -0.02  -0.04
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   6     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.03  -0.01   0.06
     4   6    -0.02  -0.01   0.01    -0.05  -0.03   0.03    -0.01  -0.01   0.01
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
     8   1     0.10  -0.12  -0.23     0.04  -0.05  -0.08    -0.24   0.26   0.47
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    10   1    -0.00   0.00  -0.02    -0.01   0.01  -0.05     0.03  -0.02   0.15
    11   1     0.26   0.18  -0.17     0.60   0.40  -0.38     0.15   0.10  -0.10
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.54   0.00    -0.00  -0.05   0.00     0.00  -0.06  -0.00
    15   1     0.04  -0.03  -0.03    -0.08   0.06   0.08    -0.03   0.02   0.03
    16   1    -0.11   0.03  -0.06     0.16  -0.05   0.08     0.04  -0.01   0.02
    17   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
    18   1    -0.03  -0.02  -0.00     0.04   0.03   0.00     0.02   0.01   0.00
    19   1    -0.01   0.04  -0.03     0.01  -0.05   0.04    -0.00   0.03  -0.02
    20   1     0.00   0.01   0.02    -0.00  -0.01  -0.03     0.00  -0.00  -0.01
    21   1    -0.00   0.01  -0.00     0.01  -0.05   0.03     0.00  -0.02   0.02
    22   1    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.01  -0.00
    23   1     0.39  -0.04   0.44    -0.13   0.01  -0.14     0.06  -0.01   0.06
    24   1     0.04  -0.10   0.11    -0.06   0.15  -0.15    -0.13   0.37  -0.34
    25   1    -0.12  -0.13  -0.23     0.17   0.19   0.32    -0.22  -0.25  -0.41
    26   1     0.01  -0.00   0.08    -0.00  -0.00  -0.00    -0.02   0.00  -0.09
    27   1     0.05  -0.02  -0.03    -0.01   0.00   0.00     0.03  -0.02  -0.02
    28   1    -0.00   0.05  -0.01     0.00  -0.02   0.01    -0.01   0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3070.0185              3070.9889              3075.4809
 Red. masses --      1.1009                 1.0745                 1.0966
 Frc consts  --      6.1135                 5.9703                 6.1112
 IR Inten    --      0.3110                 6.0774                33.4201
 RamAct Fr= 1--     19.3213               262.5867                91.3212
  Dep-P Fr= 1--      0.5484                 0.0323                 0.3853
  Dep-U Fr= 1--      0.7084                 0.0626                 0.5563
 Alpha2 Fr= 1--      0.0745                 5.4090                 0.7123
 Beta2  Fr= 1--      2.2810                 2.7402                 8.4669
 AlphaG Fr= 1--     -0.1571                -0.7733                 0.2847
 Gamma2 Fr= 1--      6.1364                15.7551               -59.1892
 Delta2 Fr= 1--      1.1396                 8.2927               -36.6443
 Raman1 Fr= 1--      77.285               1050.347                365.285
 ROA1   Fr= 1--     625.556               1777.852              -6854.779
 CID1   Fr= 1--       8.094                  1.693                -18.766
 Raman2 Fr= 1--      27.373                 32.883                101.603
 ROA2   Fr= 1--     138.156                311.780              -1127.386
 CID2   Fr= 1--       5.047                  9.482                -11.096
 Raman3 Fr= 1--      54.745                 65.765                203.206
 ROA3   Fr= 1--     625.556               1777.852              -6854.779
 CID3   Fr= 1--      11.427                 27.033                -33.733
 RC180  Fr= 1--       0.417                 -0.875                  0.113
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.01   0.01   0.03     0.01   0.01   0.05
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.01   0.02     0.02  -0.00   0.04
     4   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.04   0.00  -0.05     0.02  -0.00   0.02
     8   1     0.04  -0.04  -0.07     0.13  -0.14  -0.25     0.18  -0.19  -0.34
     9   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01   0.01  -0.04
    10   1    -0.00   0.00  -0.03    -0.01   0.01  -0.08     0.00   0.00  -0.00
    11   1    -0.03  -0.02   0.02    -0.11  -0.07   0.07     0.05   0.04  -0.03
    12   6    -0.03  -0.06   0.02     0.01   0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.02   0.05  -0.01     0.00  -0.01   0.01    -0.01  -0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00   0.11  -0.00     0.00  -0.05   0.00
    15   1    -0.02   0.01   0.02    -0.20   0.16   0.19     0.11  -0.09  -0.11
    16   1     0.07  -0.02   0.03     0.67  -0.21   0.34    -0.31   0.10  -0.16
    17   1    -0.01  -0.02   0.01    -0.02   0.02   0.01    -0.03   0.02   0.01
    18   1     0.46   0.32   0.06    -0.08  -0.06  -0.01     0.01   0.01   0.00
    19   1    -0.09   0.47  -0.32     0.01  -0.03   0.02    -0.00   0.01  -0.01
    20   1     0.01   0.01  -0.01    -0.00  -0.02  -0.04     0.00   0.01   0.05
    21   1     0.06  -0.32   0.22    -0.02   0.09  -0.06    -0.01   0.06  -0.04
    22   1    -0.32  -0.24  -0.05     0.00   0.00   0.00     0.10   0.08   0.01
    23   1    -0.03   0.00  -0.04    -0.07   0.01  -0.06    -0.28   0.03  -0.30
    24   1    -0.00   0.01  -0.01    -0.02   0.06  -0.06    -0.07   0.19  -0.18
    25   1    -0.01  -0.02  -0.03    -0.12  -0.14  -0.23    -0.16  -0.19  -0.30
    26   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.06  -0.02   0.35
    27   1    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.16   0.08   0.09
    28   1     0.00  -0.03   0.01     0.00  -0.01   0.00     0.03  -0.23   0.05
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3076.7280              3081.3466              3086.0948
 Red. masses --      1.1004                 1.1001                 1.1006
 Frc consts  --      6.1372                 6.1541                 6.1758
 IR Inten    --     61.9016                66.6751                55.1578
 RamAct Fr= 1--    173.1476                90.2366                77.9106
  Dep-P Fr= 1--      0.7500                 0.6545                 0.7215
  Dep-U Fr= 1--      0.8571                 0.7912                 0.8382
 Alpha2 Fr= 1--      0.0001                 0.1543                 0.0383
 Beta2  Fr= 1--     24.7344                11.8989                10.8842
 AlphaG Fr= 1--      0.0036                 0.1010                -0.0714
 Gamma2 Fr= 1--     -7.0770                54.1317                -0.4954
 Delta2 Fr= 1--     -3.3933                33.7727                 3.3835
 Raman1 Fr= 1--     692.590                360.947                311.642
 ROA1   Fr= 1--    -787.976               6277.369                 60.714
 CID1   Fr= 1--      -1.138                 17.391                  0.195
 Raman2 Fr= 1--     296.813                142.787                130.610
 ROA2   Fr= 1--    -142.701               1028.979                -38.957
 CID2   Fr= 1--      -0.481                  7.206                 -0.298
 Raman3 Fr= 1--     593.626                285.573                261.220
 ROA3   Fr= 1--    -787.976               6277.369                 60.714
 CID3   Fr= 1--      -1.327                 21.982                  0.232
 RC180  Fr= 1--       0.714                  0.582                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.00   0.01   0.03     0.00   0.01   0.02
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     8   1    -0.03   0.03   0.05     0.09  -0.10  -0.18     0.07  -0.08  -0.13
     9   6    -0.00   0.00   0.00    -0.04   0.03   0.07     0.03  -0.07   0.03
    10   1     0.00  -0.00  -0.00    -0.03   0.02  -0.19    -0.03   0.02  -0.15
    11   1     0.02   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.01
    12   6    -0.02  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.06   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.03   0.00     0.00  -0.02   0.00    -0.00   0.05   0.00
    15   1    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.05  -0.04  -0.05
    16   1     0.04  -0.01   0.02    -0.11   0.03  -0.05    -0.07   0.02  -0.04
    17   1     0.00  -0.01   0.00    -0.03   0.02   0.01    -0.03   0.02   0.01
    18   1     0.33   0.23   0.05    -0.00  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.06   0.33  -0.23    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    20   1    -0.01  -0.02  -0.00     0.00   0.01   0.04     0.00   0.01   0.04
    21   1    -0.09   0.46  -0.32     0.00  -0.01   0.01    -0.00   0.00  -0.00
    22   1     0.45   0.33   0.07     0.01   0.01   0.00     0.02   0.02   0.00
    23   1     0.04  -0.00   0.04    -0.12   0.02  -0.12    -0.12   0.02  -0.14
    24   1     0.01  -0.03   0.03    -0.02   0.06  -0.05    -0.02   0.05  -0.04
    25   1     0.03   0.03   0.05    -0.05  -0.06  -0.10    -0.04  -0.05  -0.08
    26   1    -0.01   0.00  -0.03    -0.11   0.03  -0.52    -0.06   0.00  -0.37
    27   1     0.03  -0.01  -0.02     0.58  -0.27  -0.34    -0.26   0.11   0.17
    28   1    -0.00   0.00   0.00     0.01  -0.12   0.05    -0.08   0.75  -0.20
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3105.7597              3120.3603              3128.1721
 Red. masses --      1.0993                 1.0943                 1.0984
 Frc consts  --      6.2472                 6.2775                 6.3330
 IR Inten    --     33.7823                26.6740                41.6252
 RamAct Fr= 1--     24.4552                56.6125               121.9536
  Dep-P Fr= 1--      0.7411                 0.4939                 0.4418
  Dep-U Fr= 1--      0.8513                 0.6612                 0.6129
 Alpha2 Fr= 1--      0.0037                 0.2876                 0.7723
 Beta2  Fr= 1--      3.4697                 6.2386                12.4571
 AlphaG Fr= 1--     -0.0151                -0.0490                 0.2053
 Gamma2 Fr= 1--     -3.5739                 2.5388                 3.0859
 Delta2 Fr= 1--     -2.1306                 1.0171                 1.5857
 Raman1 Fr= 1--      97.821                226.450                487.814
 ROA1   Fr= 1--    -411.277                276.272                346.986
 CID1   Fr= 1--      -4.204                  1.220                  0.711
 Raman2 Fr= 1--      41.637                 74.863                149.486
 ROA2   Fr= 1--     -68.729                 52.795                 61.376
 CID2   Fr= 1--      -1.651                  0.705                  0.411
 Raman3 Fr= 1--      83.273                149.726                298.971
 ROA3   Fr= 1--    -411.277                276.272                346.986
 CID3   Fr= 1--      -4.939                  1.845                  1.161
 RC180  Fr= 1--       0.703                  0.322                  0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.07  -0.04  -0.03
     8   1    -0.01   0.01   0.02     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.02    -0.01   0.01  -0.06    -0.00   0.00  -0.01
    11   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.04  -0.02   0.02
    12   6     0.00  -0.00  -0.00    -0.07   0.04   0.02     0.00  -0.00  -0.00
    13   6    -0.02  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
    14   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.05  -0.00
    15   1     0.17  -0.14  -0.19    -0.02   0.01   0.02    -0.51   0.42   0.55
    16   1     0.19  -0.06   0.11     0.00  -0.00   0.00    -0.28   0.08  -0.16
    17   1    -0.03   0.02   0.01     0.74  -0.47  -0.35    -0.03   0.02   0.01
    18   1    -0.00   0.00   0.00     0.15   0.13   0.02    -0.01  -0.01  -0.00
    19   1    -0.00   0.00  -0.00     0.01  -0.17   0.12    -0.00   0.01  -0.00
    20   1     0.05   0.24   0.83     0.00   0.01   0.04     0.02   0.10   0.33
    21   1     0.03  -0.20   0.12     0.00  -0.01   0.01     0.01  -0.06   0.04
    22   1     0.19   0.14   0.01     0.01   0.01  -0.00     0.06   0.04   0.00
    23   1     0.03  -0.00   0.03    -0.02   0.00  -0.02    -0.02   0.00  -0.02
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1     0.01   0.01   0.02    -0.03  -0.04  -0.06    -0.00  -0.00  -0.01
    26   1     0.01  -0.00   0.03    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    27   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.02   0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Molecular mass:   138.14085 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   918.032861552.462781670.45487
           X            0.99998  -0.00141   0.00537
           Y            0.00121   0.99931   0.03704
           Z           -0.00542  -0.03704   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09435     0.05579     0.05185
 Rotational constants (GHZ):           1.96588     1.16250     1.08039
 Zero-point vibrational energy     682224.1 (Joules/Mol)
                                  163.05547 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    182.69   253.70   289.52   307.98   331.33
          (Kelvin)            374.95   435.24   448.89   553.07   561.14
                              619.30   650.31   693.58   757.21   832.43
                              960.93  1132.28  1137.04  1195.74  1241.56
                             1277.97  1304.38  1340.14  1369.73  1390.32
                             1394.39  1455.01  1459.30  1478.13  1520.94
                             1547.79  1587.22  1598.09  1621.15  1698.02
                             1717.20  1766.47  1774.27  1784.40  1802.26
                             1825.09  1871.85  1903.75  1917.40  1943.48
                             1955.99  1980.31  2002.21  2020.34  2030.96
                             2046.58  2138.40  2140.71  2149.53  2156.29
                             2156.79  2165.92  2168.41  2186.07  2196.74
                             4344.92  4347.01  4350.50  4355.05  4356.43
                             4371.64  4373.48  4388.46  4395.50  4417.07
                             4418.47  4424.93  4426.73  4433.37  4440.20
                             4468.50  4489.50  4500.74
 
 Zero-point correction=                           0.259845 (Hartree/Particle)
 Thermal correction to Energy=                    0.269843
 Thermal correction to Enthalpy=                  0.270787
 Thermal correction to Gibbs Free Energy=         0.226038
 Sum of electronic and zero-point Energies=           -391.815244
 Sum of electronic and thermal Energies=              -391.805246
 Sum of electronic and thermal Enthalpies=            -391.804302
 Sum of electronic and thermal Free Energies=         -391.849052
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  169.329             41.382             94.184
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.681
 Rotational               0.889              2.981             29.255
 Vibrational            167.552             35.421             24.247
 Vibration     1          0.611              1.926              2.991
 Vibration     2          0.628              1.872              2.367
 Vibration     3          0.638              1.838              2.122
 Vibration     4          0.644              1.820              2.009
 Vibration     5          0.652              1.795              1.877
 Vibration     6          0.669              1.745              1.658
 Vibration     7          0.694              1.669              1.403
 Vibration     8          0.700              1.651              1.352
 Vibration     9          0.753              1.503              1.022
 Vibration    10          0.758              1.492              1.000
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.811              1.356              0.790
 Vibration    13          0.838              1.290              0.705
 Vibration    14          0.881              1.192              0.596
 Vibration    15          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.107151-103       -103.970005       -239.399784
 Total V=0       0.355214D+16         15.550490         35.806327
 Vib (Bot)       0.303987-117       -117.517145       -270.593226
 Vib (Bot)    1  0.160671D+01          0.205937          0.474187
 Vib (Bot)    2  0.114048D+01          0.057086          0.131445
 Vib (Bot)    3  0.990419D+00         -0.004181         -0.009627
 Vib (Bot)    4  0.926360D+00         -0.033220         -0.076492
 Vib (Bot)    5  0.855174D+00         -0.067946         -0.156451
 Vib (Bot)    6  0.745084D+00         -0.127795         -0.294258
 Vib (Bot)    7  0.627775D+00         -0.202196         -0.465573
 Vib (Bot)    8  0.605379D+00         -0.217972         -0.501900
 Vib (Bot)    9  0.468905D+00         -0.328916         -0.757356
 Vib (Bot)   10  0.460319D+00         -0.336941         -0.775835
 Vib (Bot)   11  0.404655D+00         -0.392915         -0.904721
 Vib (Bot)   12  0.378791D+00         -0.421601         -0.970772
 Vib (Bot)   13  0.346328D+00         -0.460513         -1.060370
 Vib (Bot)   14  0.304933D+00         -0.515795         -1.187662
 Vib (Bot)   15  0.263753D+00         -0.578802         -1.332742
 Vib (V=0)       0.100774D+03          2.003351          4.612885
 Vib (V=0)    1  0.218271D+01          0.338996          0.780567
 Vib (V=0)    2  0.174526D+01          0.241861          0.556906
 Vib (V=0)    3  0.160947D+01          0.206684          0.475907
 Vib (V=0)    4  0.155268D+01          0.191083          0.439985
 Vib (V=0)    5  0.149062D+01          0.173366          0.399190
 Vib (V=0)    6  0.139730D+01          0.145290          0.334543
 Vib (V=0)    7  0.130256D+01          0.114798          0.264331
 Vib (V=0)    8  0.128517D+01          0.108959          0.250887
 Vib (V=0)    9  0.118547D+01          0.073891          0.170141
 Vib (V=0)   10  0.117963D+01          0.071745          0.165199
 Vib (V=0)   11  0.114323D+01          0.058134          0.133858
 Vib (V=0)   12  0.112728D+01          0.052032          0.119809
 Vib (V=0)   13  0.110823D+01          0.044630          0.102764
 Vib (V=0)   14  0.108565D+01          0.035689          0.082178
 Vib (V=0)   15  0.106530D+01          0.027473          0.063258
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.638171D+08          7.804937         17.971532
 Rotational      0.552335D+06          5.742203         13.221910
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004039   -0.000026074    0.000013452
      2        6           0.000007966    0.000026585    0.000003598
      3        6           0.000036680    0.000008815    0.000021338
      4        6          -0.000078438    0.000028946   -0.000026848
      5        6           0.000068266   -0.000050693    0.000042459
      6        6           0.000000817   -0.000040430   -0.000004492
      7        6           0.000012142    0.000029831   -0.000009440
      8        1          -0.000000875    0.000000881    0.000001624
      9        6           0.000004673   -0.000001232   -0.000005313
     10        1          -0.000001833   -0.000010544   -0.000009475
     11        1          -0.000000232    0.000008767   -0.000002480
     12        6          -0.000001884   -0.000002111    0.000014370
     13        6          -0.000007366    0.000014509   -0.000005854
     14        1          -0.000002414   -0.000000985    0.000000003
     15        1           0.000007783   -0.000010205    0.000009792
     16        1          -0.000009209    0.000005097    0.000007028
     17        1          -0.000017976    0.000015316   -0.000026458
     18        1           0.000002135   -0.000001949   -0.000001129
     19        1           0.000003516    0.000000350    0.000000649
     20        1          -0.000006504    0.000004120   -0.000003570
     21        1           0.000001640   -0.000003894   -0.000003631
     22        1          -0.000000243   -0.000000651   -0.000001177
     23        1           0.000001415   -0.000006355   -0.000003842
     24        1           0.000001036    0.000001866    0.000002421
     25        1          -0.000015813    0.000004784   -0.000012507
     26        1           0.000001004    0.000004222   -0.000001000
     27        1          -0.000001523    0.000002167    0.000000111
     28        1          -0.000000723   -0.000001132    0.000000372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000078438 RMS     0.000017681
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130458D+03  0.466675D-01  0.669666D+00
      2   0.466675D-01  0.116243D+03 -0.890554D-01
      3   0.669666D+00 -0.890554D-01  0.111678D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.274028D+01  0.872656D+00  0.307129D+01
      2   0.339627D+01 -0.944569D+00  0.737764D+01
      3   0.402158D+01  0.260152D+01 -0.174313D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.441610D+01 -0.223077D+02  0.119292D+02
      2  -0.720511D+01  0.102115D+02 -0.406769D+01
      3   0.116212D+02  0.120962D+02 -0.786150D+01
      4  -0.310162D+02 -0.103031D+02  0.270073D+01
      5   0.189873D+02  0.167398D+01  0.184766D+02
      6   0.436692D+00  0.403489D+01 -0.415457D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.102996D+01 -0.314925D+01  0.109401D+01 -0.359794D+01  0.221719D+00
      2  -0.314925D+01 -0.799069D+00  0.131433D+01  0.221719D+00  0.336596D+01
      3   0.109401D+01  0.131433D+01  0.288440D+01  0.187729D+01 -0.140715D+01
                 6             7             8             9            10 
      1   0.187729D+01  0.515409D+00  0.232104D+01  0.456413D+01 -0.112065D+00
      2  -0.140715D+01  0.232104D+01 -0.234018D+01 -0.236916D+01  0.410117D+01
      3  -0.161477D+01  0.456413D+01 -0.236916D+01 -0.484891D+00  0.163973D+01
                11            12            13            14            15 
      1   0.410117D+01  0.163973D+01  0.533117D+01  0.808621D+00  0.214279D+00
      2   0.177060D+01 -0.295046D+00  0.808621D+00 -0.565039D+01  0.600833D+00
      3  -0.295046D+00 -0.214683D+01  0.214279D+00  0.600833D+00  0.125947D+01
                16            17            18            19            20 
      1   0.303089D+01 -0.922266D-01 -0.255957D+01  0.107777D+01  0.174442D+01
      2  -0.922266D-01  0.191601D+01  0.132675D+01  0.174442D+01  0.723973D+00
      3  -0.255957D+01  0.132675D+01 -0.655210D+01 -0.783639D+00 -0.343516D+01
                21            22            23            24            25 
      1  -0.783639D+00  0.256926D+01  0.636548D+00 -0.342991D+01 -0.519133D+00
      2  -0.343516D+01  0.636548D+00 -0.434686D+01  0.157706D+01 -0.419395D+01
      3  -0.784822D+00 -0.342991D+01  0.157706D+01 -0.247419D+01 -0.772786D+00
                26            27            28            29            30 
      1  -0.419395D+01 -0.772786D+00 -0.331565D+01 -0.272821D+01  0.951802D+00
      2   0.228984D+01 -0.441923D+01 -0.272821D+01 -0.243638D+01  0.504687D+01
      3  -0.441923D+01 -0.422481D+00  0.951802D+00  0.504687D+01 -0.153809D+01
                31            32            33            34            35 
      1  -0.280279D+01 -0.206386D+01  0.533503D+01  0.786016D+00  0.596138D+01
      2  -0.206386D+01  0.174733D+01  0.728989D+00  0.596138D+01 -0.129957D+01
      3   0.533503D+01  0.728989D+00  0.341036D+01 -0.202871D+01  0.240199D+01
                36            37            38            39            40 
      1  -0.202871D+01  0.589020D+01  0.574109D+01  0.349616D+01  0.681297D+01
      2   0.240199D+01  0.574109D+01  0.209265D+01 -0.199800D+01  0.293906D+01
      3  -0.101760D+01  0.349616D+01 -0.199800D+01  0.900886D+00 -0.284713D+01
                41            42            43            44            45 
      1   0.293906D+01 -0.284713D+01  0.548894D+01 -0.227272D+01  0.846268D-01
      2  -0.367575D+01  0.331900D+01 -0.227272D+01  0.554580D+01 -0.320734D+01
      3   0.331900D+01 -0.289851D+01  0.846268D-01 -0.320734D+01 -0.256291D+01
                46            47            48            49            50 
      1  -0.485347D+01 -0.378787D+01 -0.299922D+01 -0.479626D+01 -0.198414D+00
      2  -0.378787D+01 -0.630289D+00 -0.107436D+00 -0.198414D+00  0.957376D+01
      3  -0.299922D+01 -0.107436D+00 -0.183345D+01 -0.198121D+00 -0.991502D+00
                51            52            53            54            55 
      1  -0.198121D+00 -0.674390D+01 -0.650951D+00 -0.204907D-01  0.187959D+01
      2  -0.991502D+00 -0.650951D+00 -0.913917D+00 -0.196668D+01 -0.317860D+00
      3  -0.320378D+01 -0.204907D-01 -0.196668D+01  0.406416D+01  0.395264D+01
                56            57            58            59            60 
      1  -0.317860D+00  0.395264D+01 -0.635191D+00 -0.196951D+01 -0.352835D+01
      2  -0.197216D+01 -0.369505D+01 -0.196951D+01 -0.154697D+01 -0.170118D+01
      3  -0.369505D+01  0.992246D+00 -0.352835D+01 -0.170118D+01  0.259932D+01
                61            62            63            64            65 
      1   0.281060D+01 -0.270659D+01  0.815396D+00 -0.298941D+01  0.180983D+01
      2  -0.270659D+01 -0.172293D+01  0.222946D+01  0.180983D+01 -0.131550D+01
      3   0.815396D+00  0.222946D+01 -0.304294D+00  0.179721D+01 -0.109227D+01
                66            67            68            69            70 
      1   0.179721D+01  0.181263D+01 -0.174526D+01 -0.128983D+01  0.319942D+01
      2  -0.109227D+01 -0.174526D+01  0.232762D+01  0.195413D+01 -0.194294D+01
      3  -0.184507D+01 -0.128983D+01  0.195413D+01  0.170562D+01 -0.325889D+01
                71            72            73            74            75 
      1  -0.194294D+01 -0.325889D+01  0.218149D+01 -0.417439D+01 -0.308426D+01
      2   0.276720D+01  0.255209D+01 -0.417439D+01 -0.219431D+01  0.668072D+00
      3   0.255209D+01  0.429826D+01 -0.308426D+01  0.668072D+00  0.238861D+01
                76            77            78            79            80 
      1  -0.616681D+01 -0.351011D+00  0.511254D+00 -0.415237D+01  0.211389D+00
      2  -0.351011D+00  0.696366D+01 -0.215614D+01  0.211389D+00 -0.251167D+01
      3   0.511254D+00 -0.215614D+01 -0.697382D+00  0.338133D+01  0.320947D-01
                81            82            83            84            85 
      1   0.338133D+01  0.598956D+00 -0.565106D+00  0.984200D+00 -0.859610D+00
      2   0.320947D-01 -0.565106D+00 -0.132349D+00 -0.846921D-02 -0.218661D+00
      3   0.504116D+01  0.984200D+00 -0.846921D-02  0.626273D+00  0.909643D-01
                86            87            88            89            90 
      1  -0.218661D+00  0.909643D-01  0.210557D+01  0.313954D+00  0.434193D+00
      2  -0.347597D+00  0.111304D+01  0.313954D+00  0.114571D+01 -0.126854D+01
      3   0.111304D+01 -0.118902D+01  0.434193D+00 -0.126854D+01  0.804352D+01
                91            92            93            94            95 
      1   0.612992D+01  0.332782D+01 -0.269014D+01  0.255325D+01  0.234050D+01
      2   0.332782D+01  0.314565D+01 -0.210192D+01  0.234050D+01  0.352103D+01
      3  -0.269014D+01 -0.210192D+01  0.235943D+01 -0.176360D+01 -0.168625D+01
                96            97            98            99           100 
      1  -0.176360D+01 -0.202550D+01 -0.177122D+01  0.234576D+01 -0.204050D+01
      2  -0.168625D+01 -0.177122D+01 -0.147383D+01  0.169568D+01 -0.502829D+01
      3   0.126101D+01  0.234576D+01  0.169568D+01 -0.252184D+01 -0.362300D+01
               101           102           103           104           105 
      1  -0.502829D+01 -0.362300D+01 -0.544285D+01 -0.198887D+01  0.136018D+01
      2  -0.118518D+01  0.101250D+01 -0.198887D+01  0.122837D+01 -0.443128D+01
      3   0.101250D+01  0.533949D+00  0.136018D+01 -0.443128D+01  0.323518D+01
               106           107           108           109           110 
      1  -0.289357D+01  0.149305D+01  0.571624D+00 -0.284303D+01 -0.491248D+01
      2   0.149305D+01 -0.339323D+01  0.281500D+01 -0.491248D+01 -0.821053D+00
      3   0.571624D+00  0.281500D+01  0.163247D+01 -0.227327D+01  0.145193D+01
               111           112           113           114           115 
      1  -0.227327D+01 -0.633285D+01 -0.292512D+01  0.187399D+01 -0.272804D+01
      2   0.145193D+01 -0.292512D+01  0.371994D+01 -0.282674D+01  0.161657D+01
      3   0.558890D+00  0.187399D+01 -0.282674D+01  0.278260D+01 -0.630698D+00
               116           117           118           119           120 
      1   0.161657D+01 -0.630698D+00  0.193132D+00 -0.101081D+01  0.482549D+00
      2  -0.353983D+01  0.359409D+01 -0.101081D+01  0.697350D+00 -0.160260D+00
      3   0.359409D+01  0.448862D+01  0.482549D+00 -0.160260D+00  0.181068D+00
               121           122           123           124           125 
      1  -0.155808D+01 -0.350863D+00  0.157791D+00  0.853622D+00  0.111996D+00
      2  -0.350863D+00 -0.112919D+02  0.139440D+00  0.111996D+00  0.349527D+00
      3   0.157791D+00  0.139440D+00 -0.796049D+00 -0.111653D+00 -0.114630D+01
               126           127           128           129           130 
      1  -0.111653D+00  0.216532D+01 -0.107518D+01 -0.206215D+01 -0.118998D+01
      2  -0.114630D+01 -0.107518D+01  0.130596D+01  0.132894D+01  0.106911D+01
      3  -0.455254D-01 -0.206215D+01  0.132894D+01  0.291971D+01  0.122373D+01
               131           132           133           134           135 
      1   0.106911D+01  0.122373D+01 -0.167756D+01  0.953250D+00  0.213490D+01
      2  -0.171743D+01 -0.178314D+01  0.953250D+00 -0.153520D+01 -0.233654D+01
      3  -0.178314D+01 -0.291961D+01  0.213490D+01 -0.233654D+01 -0.600711D+01
               136           137           138           139           140 
      1  -0.496003D+01  0.413686D+00 -0.334502D+01  0.972173D+00 -0.724779D+00
      2   0.413686D+00 -0.779465D+00  0.673555D+00 -0.724779D+00  0.659922D+00
      3  -0.334502D+01  0.673555D+00 -0.394379D+01  0.108641D+01 -0.778828D+00
               141           142           143           144           145 
      1   0.108641D+01 -0.219532D+01  0.487759D+00 -0.245390D+01 -0.362189D+01
      2  -0.778828D+00  0.487759D+00 -0.400718D+00  0.151564D+00  0.181488D+01
      3   0.101046D+01 -0.245390D+01  0.151564D+00 -0.410650D+01  0.126624D+01
               146           147           148           149           150 
      1   0.181488D+01  0.126624D+01  0.207713D+01 -0.104705D+01 -0.711098D+00
      2  -0.140595D+01 -0.102306D+01 -0.104705D+01  0.165804D+01  0.148456D+01
      3  -0.102306D+01 -0.257738D+01 -0.711098D+00  0.148456D+01  0.146676D+01
               151           152           153           154           155 
      1   0.134626D+01 -0.751970D+00 -0.133579D+01  0.661667D+01  0.309193D+01
      2  -0.751970D+00  0.124918D+01  0.930551D+00  0.309193D+01  0.230012D+01
      3  -0.133579D+01  0.930551D+00  0.223340D+01  0.284053D+01  0.112778D+01
               156           157           158           159           160 
      1   0.284053D+01  0.368961D+01  0.257056D+01  0.135019D+01  0.795725D+00
      2   0.112778D+01  0.257056D+01  0.247895D+01  0.170467D+01  0.300966D+00
      3   0.238328D+01  0.135019D+01  0.170467D+01  0.124491D+01  0.115989D+01
               161           162           163           164           165 
      1   0.300966D+00  0.115989D+01  0.107707D+01 -0.368023D+00  0.139031D+01
      2   0.594330D+00  0.540098D+00 -0.368023D+00  0.622532D+00 -0.463778D+00
      3   0.540098D+00  0.921822D+00  0.139031D+01 -0.463778D+00  0.829147D+00
               166           167           168           169           170 
      1  -0.114008D+01  0.136822D+01 -0.147708D+01  0.111243D+01 -0.735853D+00
      2   0.136822D+01 -0.408049D+01  0.344751D+01 -0.735853D+00  0.212755D+01
      3  -0.147708D+01  0.344751D+01 -0.479770D+01  0.117397D+01 -0.261748D+01
               171           172           173           174           175 
      1   0.117397D+01  0.207807D+00  0.232262D+00 -0.808603D+00  0.600205D-01
      2  -0.261748D+01  0.232262D+00  0.363213D-01  0.951349D-01  0.783891D+00
      3   0.467310D+01 -0.808603D+00  0.951349D-01  0.270687D+00  0.288693D+00
               176           177           178           179           180 
      1   0.783891D+00  0.288693D+00 -0.217594D+01  0.838367D+00  0.135816D+01
      2  -0.160596D+01 -0.111929D+01  0.838367D+00 -0.151601D+01 -0.228884D+01
      3  -0.111929D+01 -0.187345D+01  0.135816D+01 -0.228884D+01 -0.648676D+01
               181           182           183           184           185 
      1   0.166558D+01 -0.882214D+00  0.747870D+00 -0.217193D+01  0.323571D+01
      2  -0.882214D+00  0.823119D+00 -0.483468D+00  0.323571D+01 -0.670725D+01
      3   0.747870D+00 -0.483468D+00  0.248478D+00 -0.995768D+00  0.233979D+01
               186           187           188           189           190 
      1  -0.995768D+00  0.224849D+01 -0.174516D+01  0.118782D+01  0.941771D+01
      2   0.233979D+01 -0.174516D+01  0.337870D+01 -0.223498D+01  0.203405D+01
      3  -0.197375D+01  0.118782D+01 -0.223498D+01  0.168044D+01  0.304460D+00
               191           192           193           194           195 
      1   0.203405D+01  0.304460D+00  0.562703D+01  0.219356D+01 -0.143054D+00
      2   0.154261D+01  0.425754D-01  0.219356D+01  0.141070D+01  0.340635D+00
      3   0.425754D-01  0.767923D+00 -0.143054D+00  0.340635D+00  0.522216D+00
               196           197           198           199           200 
      1   0.109137D+01 -0.687476D-01  0.120861D+01 -0.457032D+01  0.107580D+01
      2  -0.687476D-01  0.528783D+00  0.222014D-02  0.107580D+01 -0.118995D+01
      3   0.120861D+01  0.222014D-02 -0.964562D-01 -0.214820D+01  0.406492D+00
               201           202           203           204           205 
      1  -0.214820D+01  0.685526D+00 -0.814417D+00  0.118617D+00 -0.350073D+01
      2   0.406492D+00 -0.814417D+00  0.188480D+00 -0.447489D+00  0.306810D+00
      3  -0.173652D+01  0.118617D+00 -0.447489D+00  0.357938D+00 -0.223039D+01
               206           207           208           209           210 
      1   0.306810D+00 -0.223039D+01 -0.125597D+01  0.137254D+01 -0.691323D+00
      2  -0.132829D+01  0.942388D+00  0.137254D+01 -0.181733D+01  0.109058D+01
      3   0.942388D+00 -0.247199D+01 -0.691323D+00  0.109058D+01 -0.417132D+00
               211           212           213           214           215 
      1   0.996844D+00 -0.146790D+01  0.790831D+00 -0.119387D+01  0.143622D+01
      2  -0.146790D+01  0.800417D+01 -0.319501D+01  0.143622D+01 -0.519601D+01
      3   0.790831D+00 -0.319501D+01  0.216668D+01 -0.593294D+00  0.365465D+01
               216           217           218           219           220 
      1  -0.593294D+00  0.167061D+01  0.959373D+00  0.118263D+01  0.740683D+00
      2   0.365465D+01  0.959373D+00  0.197045D+01  0.125418D+01  0.112970D+01
      3  -0.305946D+01  0.118263D+01  0.125418D+01  0.127305D+01  0.827642D+00
               221           222           223           224           225 
      1   0.112970D+01  0.827642D+00  0.160391D+01  0.117116D+01  0.127334D+01
      2   0.437781D+01  0.193610D+01  0.117116D+01  0.332859D+01  0.285796D+01
      3   0.193610D+01  0.183091D+01  0.127334D+01  0.285796D+01  0.339001D+01
               226           227           228           229           230 
      1  -0.147509D+01  0.177173D+00 -0.945542D+00  0.842687D+00 -0.298171D+00
      2   0.177173D+00 -0.272013D-01 -0.209116D+00 -0.298171D+00 -0.708649D+00
      3  -0.945542D+00 -0.209116D+00 -0.136875D+01 -0.886732D-01 -0.581864D+00
               231           232           233           234           235 
      1  -0.886732D-01 -0.280289D+01 -0.977289D+00 -0.231922D+01 -0.951971D+01
      2  -0.581864D+00 -0.977289D+00 -0.138973D+01 -0.657815D+00  0.583176D+00
      3   0.709328D-01 -0.231922D+01 -0.657815D+00 -0.632597D+01  0.291248D+01
               236           237           238           239           240 
      1   0.583176D+00  0.291248D+01  0.363097D+01 -0.103138D+01 -0.921038D+00
      2  -0.100705D+01 -0.329619D+00 -0.103138D+01  0.273785D+00  0.704779D+00
      3  -0.329619D+00 -0.185706D+01 -0.921038D+00  0.704779D+00  0.809444D+00
               241           242           243           244           245 
      1   0.451057D+01 -0.725375D-01 -0.267725D+01 -0.244664D+00 -0.479496D+00
      2  -0.725375D-01  0.110679D+01  0.206749D+00 -0.479496D+00  0.681898D+00
      3  -0.267725D+01  0.206749D+00  0.149981D+01  0.411551D+00 -0.110288D+00
               246           247           248           249           250 
      1   0.411551D+00 -0.170760D+01 -0.210195D+01  0.286751D+00  0.110960D+01
      2  -0.110288D+00 -0.210195D+01 -0.982025D+01  0.171532D+01  0.458261D+00
      3  -0.691107D-01  0.286751D+00  0.171532D+01 -0.129560D+01 -0.701106D+00
               251           252 
      1   0.458261D+00 -0.701106D+00
      2   0.223311D+01 -0.142043D+01
      3  -0.142043D+01  0.499110D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.484255D+01 -0.354405D+01 -0.347186D+01 -0.413743D+01  0.690267D+01
      2  -0.344752D+01 -0.233010D+01 -0.662802D+01 -0.301551D+01  0.323958D+01
      3  -0.892311D+01 -0.106583D+02  0.629120D+01 -0.387247D+01  0.726033D+01
                 6             7             8             9            10 
      1   0.110501D+01 -0.480281D+01  0.585295D+01 -0.345216D+00  0.466027D+01
      2   0.416455D+01 -0.155649D+02  0.544868D+01  0.154737D+00 -0.420636D+01
      3  -0.567888D-02  0.794906D+01 -0.660959D+00  0.506803D+00  0.907101D+01
                11            12            13            14            15 
      1   0.253800D+01 -0.145626D+01  0.208790D+01 -0.393217D+01 -0.952393D+00
      2  -0.133974D+01  0.463763D+01 -0.205314D+01 -0.260368D+01 -0.219746D+01
      3  -0.423287D+01 -0.258262D+01  0.282383D+01 -0.125281D+02  0.147738D+01
                16            17            18            19            20 
      1  -0.689347D+00  0.632034D+01 -0.485440D+01  0.221807D+01  0.110387D+02
      2   0.102579D+01 -0.229541D+01  0.156866D+02 -0.212029D+01  0.144065D+01
      3  -0.304136D+01  0.344895D+01  0.217013D+01  0.370950D+01  0.491038D+01
                21            22            23            24            25 
      1   0.290744D+01  0.106467D+02 -0.336615D+01  0.572826D+01  0.435274D+01
      2   0.194344D+01  0.170516D+01  0.621868D-01 -0.470514D+00 -0.203698D+01
      3  -0.265736D+01  0.116110D+02  0.279954D+00 -0.871673D+01 -0.300499D+01
                26            27            28            29            30 
      1   0.148312D+02  0.399245D+01  0.124165D+01 -0.799864D+01 -0.556499D+01
      2  -0.145585D+01  0.172429D+01 -0.118731D+00  0.418965D+01  0.129031D+01
      3  -0.102323D+02 -0.268070D+01  0.258092D+01 -0.495897D+01 -0.232415D+01
                31            32            33            34            35 
      1  -0.753141D+01 -0.290016D+01 -0.818673D+01 -0.392767D+01 -0.105011D+01
      2   0.416577D+01  0.800248D-01  0.946337D+01 -0.535979D+01  0.109096D+02
      3   0.810616D+00 -0.393007D+01  0.654120D+01 -0.488229D+01  0.875030D+01
                36            37            38            39            40 
      1  -0.339152D+01  0.502148D+01  0.448285D+00 -0.400492D-01  0.227962D+01
      2  -0.236681D+01  0.559860D+01 -0.508307D+01  0.380120D+01 -0.692343D+01
      3  -0.409831D+01 -0.141899D+02 -0.121414D+02  0.220346D+01 -0.367913D+01
                41            42            43            44            45 
      1   0.115070D+01 -0.401250D+01 -0.959480D+00  0.468514D+01 -0.393961D+01
      2   0.756302D+01 -0.741151D+01 -0.720904D+01 -0.758146D+01 -0.692903D+01
      3   0.452702D+01 -0.579001D+01  0.101603D+01 -0.102643D+02  0.765323D+01
                46            47            48            49            50 
      1  -0.632700D+01 -0.851139D+00 -0.126374D+01  0.118553D+00 -0.202562D+00
      2  -0.209154D+01 -0.129057D+01  0.314048D+00 -0.538506D+00  0.308873D+00
      3   0.569931D+01  0.358451D+01  0.333455D+01  0.114348D+02  0.334710D+01
                51            52            53            54            55 
      1  -0.763130D+01 -0.291276D+01 -0.219714D+01  0.989534D+01  0.276804D+01
      2   0.226554D+01 -0.574009D+01 -0.355949D+00 -0.278275D+01  0.564348D+01
      3   0.700759D+00  0.758058D+01  0.580115D+00 -0.887053D+00 -0.536691D+00
                56            57            58            59            60 
      1   0.627925D+01  0.107490D+02  0.257584D+01  0.293070D+01  0.543857D+01
      2  -0.236107D+01  0.145644D+02 -0.247346D+01 -0.755208D+01 -0.114390D+02
      3  -0.139801D+01 -0.252846D+01  0.272012D+01  0.140642D+01  0.183836D+01
                61            62            63            64            65 
      1   0.918354D+01  0.871609D+01 -0.808005D+01 -0.176849D+01  0.330403D+00
      2   0.585559D+01 -0.787763D+01  0.941591D+00 -0.196372D+01  0.165195D+01
      3  -0.125529D+01  0.176821D+01  0.689045D-01 -0.122230D+01 -0.197287D+01
                66            67            68            69            70 
      1   0.293818D+01  0.153528D+01 -0.111444D+01 -0.319780D+01  0.396394D+01
      2   0.487552D+01  0.132823D+01 -0.357387D+01 -0.389654D+01  0.309936D+01
      3   0.200377D+00  0.181863D+01  0.250198D+01  0.134541D+01  0.186271D+01
                71            72            73            74            75 
      1   0.250410D+00 -0.615007D+01 -0.622607D+01 -0.630966D+00  0.371156D+01
      2  -0.429968D+01 -0.853924D+01  0.108681D+02 -0.101726D+00 -0.545473D+01
      3   0.453363D+01  0.183444D+00 -0.183708D+02 -0.185169D+01  0.665410D+01
                76            77            78            79            80 
      1  -0.101913D+00 -0.302567D+01 -0.231853D+01  0.574469D+01  0.173869D+01
      2  -0.313620D-01  0.719930D+01  0.150555D+01 -0.136120D+02 -0.153745D+01
      3   0.109942D+02  0.249750D+02 -0.846382D+01  0.669399D+01 -0.801745D+01
                81            82            83            84            85 
      1   0.777160D+01  0.483588D+00 -0.237773D+00  0.724974D+00 -0.133461D+00
      2  -0.179310D+02 -0.358730D+01  0.463563D-01 -0.153649D+01  0.379435D+00
      3  -0.463304D+01 -0.203774D+01 -0.315542D+00 -0.387238D+00  0.243116D+01
                86            87            88            89            90 
      1   0.481886D+00 -0.774378D+00  0.106147D+01  0.310388D+01  0.473072D+01
      2  -0.164139D+01  0.156959D+01 -0.721410D+01  0.140999D+01 -0.149693D+02
      3   0.545847D+00  0.194507D+01 -0.150685D+01  0.206853D+01 -0.145656D+01
                91            92            93            94            95 
      1  -0.491773D+00 -0.185103D+01 -0.200152D+01 -0.474358D+00 -0.275431D+01
      2   0.429336D+01  0.870689D+00  0.264832D+01  0.186320D+01  0.744607D+00
      3   0.548427D+01 -0.277377D+01 -0.768648D+00  0.352104D+01 -0.174225D+01
                96            97            98            99           100 
      1  -0.178676D+01 -0.102043D+01  0.185556D+01  0.256842D+01 -0.106816D+02
      2   0.831956D+00 -0.176067D+01 -0.477104D+00 -0.147386D+01 -0.271124D+01
      3  -0.494023D+00 -0.205080D+01  0.183443D+00  0.122876D+01  0.948850D+01
               101           102           103           104           105 
      1  -0.200994D+01  0.187346D+01 -0.560849D+01  0.242838D+01 -0.140740D+02
      2   0.126818D+02  0.126367D+02  0.148393D+02 -0.494120D+01  0.367467D+01
      3  -0.339021D+00 -0.276272D+01  0.495877D+01 -0.242286D+01  0.898049D+01
               106           107           108           109           110 
      1   0.394066D+01 -0.650116D+01  0.654505D+01 -0.880344D+00  0.184325D+01
      2   0.630448D+01  0.201514D+01  0.117967D+01 -0.715020D+01  0.295014D+01
      3  -0.372192D+01  0.680165D+01 -0.518845D+01  0.199840D+02  0.872343D+01
               111           112           113           114           115 
      1  -0.184917D+00  0.278101D+01 -0.460527D+01  0.331743D+01 -0.252982D+01
      2   0.200295D+01  0.265948D+01 -0.932606D+01  0.110211D+02 -0.682737D+01
      3  -0.218310D+01  0.187914D+02 -0.996642D+01  0.668549D+01 -0.187835D+01
               116           117           118           119           120 
      1   0.817901D+01  0.598837D+01  0.123600D+01 -0.196723D+00 -0.201897D-01
      2   0.132522D+02  0.168280D+02 -0.413402D+00 -0.179264D+00  0.112870D+01
      3   0.769631D+01 -0.111623D+02 -0.169564D+00 -0.763860D+00 -0.529663D+00
               121           122           123           124           125 
      1   0.446283D+00  0.271485D+01 -0.586505D+01  0.211036D+00 -0.294264D+00
      2  -0.197620D-01 -0.722917D+00  0.379557D+00 -0.155134D+01  0.173081D+00
      3   0.771129D+01 -0.134573D+01 -0.208952D+00 -0.148231D+01 -0.246696D+00
               126           127           128           129           130 
      1   0.809243D-02  0.238200D+01 -0.438406D+01 -0.201412D+01 -0.271652D+01
      2   0.100983D-01  0.771843D+01 -0.294416D+01 -0.295668D+01 -0.421423D+01
      3   0.170632D-01 -0.164023D+01 -0.607907D+00  0.752143D+00  0.252114D+01
               131           132           133           134           135 
      1   0.414156D+01  0.863270D+00 -0.193484D+01  0.452653D+01  0.288439D+01
      2   0.267701D+01  0.259045D+01 -0.654529D+01  0.249881D+01  0.287271D+01
      3  -0.173706D+00 -0.257311D+00  0.141917D+01  0.595289D+00 -0.631363D+00
               136           137           138           139           140 
      1  -0.192327D+01  0.441290D+01 -0.264302D+01  0.197681D+01 -0.240842D+01
      2  -0.156108D+02  0.110017D+01 -0.481594D+01  0.314170D+01 -0.166104D+01
      3   0.124269D+01 -0.287053D+01  0.129838D+01  0.591827D+00  0.619703D+00
               141           142           143           144           145 
      1   0.895556D-01 -0.170348D+01  0.282235D+01 -0.968437D+00  0.432805D+01
      2   0.229099D+01 -0.715574D+01  0.983825D+00 -0.421526D+01  0.146463D+02
      3  -0.261246D+00  0.265532D+00 -0.193627D+01  0.919900D+00 -0.573079D+01
               146           147           148           149           150 
      1  -0.496519D+01 -0.541834D+00 -0.374950D+01  0.484824D+01  0.853936D+00
      2  -0.624847D+01 -0.483550D+01 -0.733167D+01  0.526107D+01  0.308282D+01
      3   0.169783D+01  0.171698D+01  0.434251D+01 -0.262627D+01 -0.225921D+01
               151           152           153           154           155 
      1  -0.138579D+01  0.348192D+01  0.947551D+00  0.646746D+01  0.575195D+01
      2  -0.734166D+01  0.341956D+01  0.518296D+01 -0.892986D+01 -0.418563D+01
      3   0.231346D+01 -0.121280D+01 -0.181444D+01 -0.278459D+01 -0.582059D+01
               156           157           158           159           160 
      1   0.741113D+00  0.492778D+01  0.538315D+01  0.140462D+01  0.611090D+00
      2   0.171393D+01 -0.629057D+01 -0.196500D+01  0.801481D+00 -0.174856D+01
      3  -0.178229D+01 -0.150187D+01 -0.497569D+01 -0.254705D+01  0.604377D-01
               161           162           163           164           165 
      1   0.221657D+01  0.816497D+00 -0.649190D+00  0.187259D+01 -0.836235D+00
      2  -0.416794D+00 -0.596088D+00  0.648940D+00 -0.275285D+00  0.475061D-01
      3  -0.109796D+01 -0.470496D+00  0.537430D+00 -0.186968D+01  0.995507D+00
               166           167           168           169           170 
      1   0.296533D+01 -0.108664D+02  0.512228D+01 -0.203334D+01  0.784859D+01
      2   0.132853D+01  0.371129D+01 -0.661345D+01 -0.260327D+01 -0.266693D+01
      3  -0.166173D+00  0.737039D+01 -0.592445D+01  0.498006D+00 -0.432561D+01
               171           172           173           174           175 
      1  -0.566284D+01 -0.167321D+01  0.673837D-01 -0.257587D+00 -0.269587D-01
      2   0.577142D+01 -0.315923D+01  0.880474D+00 -0.236271D-01  0.456967D+00
      3   0.462421D+01 -0.193975D+00 -0.105073D+01  0.771677D+00 -0.842130D+00
               176           177           178           179           180 
      1   0.207569D+00 -0.309295D+01  0.137251D+00  0.501431D+00 -0.853942D+01
      2  -0.267063D+01 -0.589516D+01 -0.197800D+01 -0.603343D+01 -0.210397D+02
      3   0.343767D+01  0.278777D+01  0.146192D+01  0.414556D+01  0.602391D+01
               181           182           183           184           185 
      1   0.116257D+01 -0.897557D+00  0.899090D+00 -0.184496D+01  0.373844D+01
      2   0.246179D+01 -0.183639D+01  0.218546D+01 -0.247458D+01  0.789450D+01
      3   0.102921D+01 -0.352709D+01  0.670877D+00 -0.424866D+01  0.171988D+02
               186           187           188           189           190 
      1  -0.611766D+01  0.128208D+01 -0.201042D+01  0.383129D+01 -0.359059D+00
      2  -0.748497D+01  0.195170D+01 -0.642338D+01  0.534975D+01  0.294886D+01
      3  -0.594004D+01  0.104338D+01 -0.882553D+01  0.547867D+01 -0.161720D+02
               191           192           193           194           195 
      1  -0.372597D+00  0.225105D+00 -0.552466D+00 -0.117846D+00 -0.107995D+01
      2   0.111175D+01  0.575950D+01  0.990887D+00  0.173812D+01  0.285694D+01
      3  -0.104191D+02 -0.543842D+00 -0.997032D+01 -0.810310D+01 -0.111193D+01
               196           197           198           199           200 
      1   0.969526D+00  0.360135D+00 -0.268887D+00  0.362649D+01  0.380016D+00
      2   0.215314D+01 -0.175556D+00 -0.493968D-04  0.509115D+01 -0.100632D+01
      3  -0.581950D+00 -0.192992D+01 -0.969109D+00 -0.450721D+01 -0.353460D+01
               201           202           203           204           205 
      1   0.308206D+01 -0.954154D-01  0.396898D+00 -0.164274D+01  0.299631D+01
      2   0.684747D+01 -0.855569D-01  0.118766D+01 -0.942645D+00  0.412049D+01
      3  -0.236825D+01  0.738823D+00 -0.167528D+01 -0.536892D+00 -0.503819D+01
               206           207           208           209           210 
      1  -0.103248D+00  0.467697D+01  0.111364D+01 -0.262341D+01  0.154457D+01
      2  -0.200205D+01  0.765656D+01 -0.810623D+00  0.259341D+00  0.123245D+01
      3  -0.382808D+01 -0.136689D+01 -0.347507D+01  0.871544D+00 -0.131866D+01
               211           212           213           214           215 
      1  -0.160713D+01  0.482918D+01 -0.741975D+01  0.233611D+00 -0.513206D+01
      2   0.108665D+01  0.190122D+00 -0.955167D+00 -0.202839D+01 -0.737435D-01
      3   0.472400D+01 -0.831465D+00  0.944276D+00 -0.438317D+01  0.148788D+01
               216           217           218           219           220 
      1   0.765939D+01 -0.367328D+01 -0.309908D+01 -0.477319D+01 -0.228521D+01
      2   0.675121D+00  0.758364D-01 -0.325258D+00  0.788637D+00 -0.880360D+00
      3  -0.872559D-02  0.551099D+01  0.439252D+00  0.346681D+01  0.353645D+01
               221           222           223           224           225 
      1  -0.503509D+01 -0.657271D+01 -0.426959D+01 -0.566816D+01 -0.119781D+02
      2  -0.784816D+00  0.365283D+00 -0.232679D+01 -0.298650D+00 -0.999496D+00
      3   0.274821D+01  0.268254D+01  0.660860D+01  0.326360D+01  0.368386D+01
               226           227           228           229           230 
      1  -0.169654D+01  0.123744D+00 -0.213336D+01 -0.378662D+00 -0.842457D+00
      2   0.322938D+01  0.954823D+00  0.484244D+01  0.780789D+00  0.176443D+01
      3   0.227315D+01 -0.110625D+01  0.647951D+00 -0.474233D+00 -0.123316D+01
               231           232           233           234           235 
      1  -0.791376D+00 -0.273477D+01  0.209630D+01 -0.102905D+02  0.399885D+01
      2  -0.599292D+00  0.347062D+01  0.127770D+01  0.223571D+02 -0.516315D+01
      3  -0.132939D+01  0.112289D+01 -0.398021D+01  0.154505D+01  0.152515D+02
               236           237           238           239           240 
      1  -0.158021D+01 -0.238798D+01 -0.123546D+01  0.138041D+01  0.521036D+00
      2   0.106761D+01  0.812845D+01  0.128180D+01 -0.185849D+01 -0.307876D+01
      3  -0.727646D+01 -0.533027D+01 -0.624510D+01  0.290299D+01  0.333682D+01
               241           242           243           244           245 
      1  -0.298509D+01  0.211407D+01  0.151276D+01  0.484231D+00  0.155837D+00
      2   0.493342D+01 -0.817424D+00 -0.411659D+01 -0.140785D+01  0.258012D+00
      3  -0.623636D+01  0.485863D+01  0.408053D+01 -0.193292D+01  0.113691D+01
               246           247           248           249           250 
      1   0.194312D+00 -0.194204D+00 -0.319977D+00 -0.476804D+01 -0.774396D+00
      2   0.702546D+00  0.324211D+00 -0.432063D+01  0.412061D+01  0.456677D+00
      3  -0.893706D+00  0.151210D+00 -0.275405D+02  0.491185D+01 -0.831937D+00
               251           252 
      1  -0.419228D+00  0.597161D+00
      2   0.337296D+01 -0.762224D+00
      3   0.637591D+01 -0.281704D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.413279D+01  0.103669D+02 -0.115092D+02  0.723612D+01 -0.172079D+01
      2   0.314820D+01 -0.726080D+01  0.629291D+01 -0.497381D+01  0.399082D+01
      3   0.984582D+00 -0.310607D+01  0.521625D+01 -0.226231D+01 -0.227003D+01
      4   0.158197D+02 -0.423785D+01 -0.318586D+00 -0.931000D+01 -0.993236D+01
      5  -0.284479D+01 -0.540190D+01 -0.147567D+02 -0.710585D+01  0.553368D+01
      6  -0.327379D+00  0.744466D+01  0.841620D+01  0.771598D+01 -0.702283D+01
                 6             7             8             9            10 
      1   0.165526D+00 -0.150888D+02 -0.234999D+01 -0.136265D+02 -0.303229D+01
      2  -0.176101D+01  0.100696D+02  0.340294D+01  0.721329D+01 -0.130865D+01
      3   0.159548D+01  0.501928D+01 -0.105295D+01  0.641318D+01  0.434094D+01
      4   0.843354D+01 -0.176538D+01  0.122128D+02  0.201832D+02 -0.236066D+02
      5   0.796135D+01 -0.227074D+02  0.139539D+02  0.405409D+01 -0.531591D+01
      6  -0.659540D+01  0.148125D+02 -0.783314D+01 -0.742717D+01 -0.673033D+00
                11            12            13            14            15 
      1  -0.131912D+02 -0.408816D+01 -0.174119D+02 -0.905954D+01 -0.269328D+01
      2   0.208550D+01  0.113989D+01  0.667310D+01  0.102676D+02  0.113305D+01
      3   0.111057D+02  0.294826D+01  0.107388D+02 -0.120806D+01  0.156023D+01
      4  -0.131373D+02 -0.231976D+01 -0.119495D+02  0.126827D+02 -0.520544D+00
      5   0.223495D+01  0.430341D+01  0.107289D+01 -0.119501D+01 -0.339936D+01
      6  -0.291086D+01  0.208315D+00 -0.114071D+01 -0.610254D+00 -0.223012D+01
                16            17            18            19            20 
      1  -0.292242D+01 -0.391601D+01  0.207927D+02 -0.511433D+01 -0.525628D+01
      2   0.139416D+01 -0.329938D+01  0.191397D+01  0.418274D+01  0.249975D+00
      3   0.152826D+01  0.721538D+01 -0.227066D+02  0.931590D+00  0.500630D+01
      4  -0.452798D+01 -0.570580D+01 -0.171977D+01  0.462954D+00 -0.507354D+01
      5   0.138319D+02 -0.278111D+01  0.150119D+02 -0.342203D+01  0.109950D+01
      6   0.168299D+01  0.161720D+01  0.126482D+02 -0.278420D+01 -0.152086D+02
                21            22            23            24            25 
      1   0.110687D+02 -0.778748D+01  0.190641D+02 -0.566924D+01  0.169201D+02
      2  -0.165800D+02  0.467573D+01 -0.223588D+02  0.711821D+01 -0.191885D+02
      3   0.551131D+01  0.311175D+01  0.329474D+01 -0.144896D+01  0.226841D+01
      4  -0.181644D+01  0.262772D+01  0.479160D+01 -0.140281D+02 -0.421481D+01
      5  -0.203689D+01  0.130414D+01 -0.743622D+01  0.409061D+00  0.104539D+01
      6   0.136217D+01 -0.149047D+02  0.128156D+02 -0.167125D+02 -0.301117D+01
                26            27            28            29            30 
      1  -0.915574D+01  0.168226D+02 -0.524468D+01 -0.313345D+01 -0.142583D+01
      2   0.104286D+02 -0.228109D+02  0.444719D+01  0.125914D+02  0.940200D+01
      3  -0.127284D+01  0.598830D+01  0.797491D+00 -0.945793D+01 -0.797617D+01
      4  -0.142903D+02 -0.343314D+01 -0.149600D+02 -0.141640D+02  0.140047D+02
      5  -0.739332D+00 -0.405490D+01  0.114210D+02  0.123064D+02 -0.117128D+02
      6  -0.273011D+02  0.173614D+01  0.899077D+01  0.125177D+02 -0.131501D+02
                31            32            33            34            35 
      1   0.198491D+01 -0.673530D+01  0.743711D+01 -0.331149D+01  0.141169D+02
      2   0.444919D+01  0.126430D+02 -0.479607D+01  0.781225D+01 -0.615739D+01
      3  -0.643409D+01 -0.590772D+01 -0.264104D+01 -0.450075D+01 -0.795948D+01
      4  -0.147580D+02 -0.683122D+01  0.614616D+01  0.205993D+02  0.581996D+01
      5   0.863145D+01  0.243322D+01 -0.278163D+01 -0.994058D+01 -0.319456D+01
      6   0.827325D+01  0.271876D+01 -0.758316D+01 -0.961802D+01  0.453883D-01
                36            37            38            39            40 
      1  -0.622101D+01  0.609474D+01  0.178651D+02  0.149547D+02  0.196046D+02
      2   0.895955D+01 -0.118695D+02 -0.120958D+02 -0.644050D+01 -0.100972D+02
      3  -0.273854D+01  0.577474D+01 -0.576929D+01 -0.851423D+01 -0.950745D+01
      4  -0.115061D+00  0.170256D+02  0.201257D-01 -0.106916D+02  0.257356D+01
      5  -0.997851D+00  0.165813D+02 -0.480079D+01  0.812652D+01 -0.224767D+01
      6   0.292103D+00 -0.209581D+01  0.793918D+00  0.358886D+01  0.450185D+01
                41            42            43            44            45 
      1  -0.312448D+01 -0.937418D+00  0.167365D+02 -0.453014D+01  0.624960D+01
      2   0.987236D+00  0.623736D+01 -0.824157D+01  0.287932D+01 -0.243645D+00
      3   0.213725D+01 -0.529994D+01 -0.849495D+01  0.165081D+01 -0.600595D+01
      4  -0.506053D+01  0.111371D+02 -0.138056D+02  0.101327D+02 -0.125095D+02
      5   0.130843D+02 -0.781918D+01  0.427827D+01 -0.108281D+02 -0.639447D+01
      6  -0.117356D+01  0.858317D+01 -0.296127D+01 -0.171914D+00 -0.307566D+01
                46            47            48            49            50 
      1  -0.948630D+01 -0.109640D+00 -0.389611D+01  0.156034D+00  0.259051D+02
      2   0.600352D+01  0.543360D+01  0.483059D+01  0.106364D+01 -0.407358D+02
      3   0.348278D+01 -0.532396D+01 -0.934475D+00 -0.121967D+01  0.148307D+02
      4   0.411424D+01  0.190323D+01  0.256403D+01  0.399756D+01  0.191993D+01
      5  -0.699466D+01 -0.436209D+01 -0.459192D+01 -0.575468D+01 -0.802179D+01
      6  -0.215580D+00  0.110871D+01 -0.528194D+01 -0.367233D+01 -0.336012D+01
                51            52            53            54            55 
      1  -0.837428D+01 -0.146906D+01 -0.214276D+01  0.826485D+00  0.617574D+01
      2  -0.688588D+00  0.460987D+01 -0.928591D+00  0.930425D+01  0.882497D+01
      3   0.906287D+01 -0.314081D+01  0.307136D+01 -0.101307D+02 -0.150007D+02
      4  -0.477866D+01  0.578055D+01  0.188082D+01  0.183961D+01  0.171552D+01
      5   0.108987D+01 -0.219364D+01  0.193802D+01 -0.199381D+01 -0.618347D+01
      6  -0.244725D+00  0.307517D+00  0.438841D+01 -0.223168D+01  0.970110D+00
                56            57            58            59            60 
      1  -0.730459D+01  0.583719D-01 -0.754993D+01 -0.523862D+01  0.736175D+01
      2  -0.967843D+01 -0.283286D+00 -0.783580D+01 -0.135053D+01  0.536790D+01
      3   0.169830D+02  0.224914D+00  0.153857D+02  0.658915D+01 -0.127297D+02
      4  -0.150055D+01 -0.199056D+01 -0.133696D+01  0.156164D+01  0.388727D+01
      5   0.156845D+01 -0.147748D+02  0.333520D+01  0.761982D+01  0.104410D+02
      6   0.421114D+01  0.166055D+02  0.814688D+01  0.108509D+01  0.213173D+01
                61            62            63            64            65 
      1  -0.297956D+01  0.735479D+00 -0.217259D+01  0.107199D+02 -0.478624D+01
      2  -0.159517D+01  0.912415D+01 -0.130318D+01 -0.567013D+01  0.887215D+00
      3   0.457473D+01 -0.985962D+01  0.347577D+01 -0.504980D+01  0.389903D+01
      4  -0.696459D+01 -0.496821D+00  0.465942D+01 -0.151082D+02  0.121352D+02
      5  -0.942612D+01  0.840603D+01  0.182413D+01 -0.123029D+02  0.680015D+01
      6   0.118601D+02 -0.118717D+01 -0.711534D+01  0.767620D+01 -0.645133D+01
                66            67            68            69            70 
      1  -0.405934D+01 -0.238895D+01 -0.361430D+01 -0.190883D+01 -0.613187D+01
      2   0.277888D+01 -0.140930D+01  0.842912D+01  0.299407D+01  0.524831D+01
      3   0.128046D+01  0.379824D+01 -0.481482D+01 -0.108523D+01  0.883561D+00
      4   0.863978D+01  0.141663D+02 -0.133917D+02 -0.111010D+02  0.143731D+02
      5   0.130091D+02  0.665553D+01 -0.918154D+01 -0.805168D+01  0.186919D+02
      6  -0.707609D+01 -0.772962D+01  0.109348D+02  0.107636D+02 -0.126005D+02
                71            72            73            74            75 
      1  -0.175034D+01  0.196027D+00 -0.221286D+02  0.194346D+02  0.207235D+02
      2   0.209049D+01 -0.638951D+01  0.236020D+02 -0.575174D+01 -0.126568D+02
      3  -0.340149D+00  0.619348D+01 -0.147342D+01 -0.136829D+02 -0.806670D+01
      4  -0.155017D+02 -0.162661D+02  0.250490D+02  0.170187D+02  0.707365D-01
      5  -0.120913D+02 -0.207676D+02  0.250457D+02 -0.477690D+01 -0.164214D+02
      6   0.140014D+02  0.181515D+02  0.472730D+01 -0.343538D+00 -0.406105D+01
                76            77            78            79            80 
      1   0.337812D+02  0.231008D+02 -0.954210D+01  0.246804D+02 -0.612132D+01
      2  -0.193744D+02 -0.325316D+02  0.116542D+02 -0.121484D+02  0.107844D+02
      3  -0.144068D+02  0.943079D+01 -0.211212D+01 -0.125320D+02 -0.466308D+01
      4   0.112505D+02 -0.281983D+02  0.991804D+01  0.383998D+01  0.112021D+02
      5  -0.624641D+01  0.113658D+02  0.417585D+01 -0.244028D+02 -0.306561D+00
      6   0.650896D+00  0.133940D+02 -0.923286D+00 -0.721856D+01 -0.209653D+01
                81            82            83            84            85 
      1  -0.183018D+02 -0.310379D+00  0.223989D+01 -0.183791D+01  0.212600D+01
      2   0.127197D+02 -0.336669D+01 -0.550465D+00  0.417933D+00 -0.655593D+00
      3   0.558215D+01  0.367707D+01 -0.168943D+01  0.141997D+01 -0.147041D+01
      4  -0.396162D+01  0.204739D+01  0.318941D+01 -0.837497D+00  0.448746D+01
      5  -0.277315D+02  0.476995D+00 -0.512380D+00  0.599439D+01 -0.285711D+00
      6  -0.136791D+02 -0.104562D+01  0.634851D+00 -0.477714D+00  0.587044D+00
                86            87            88            89            90 
      1  -0.355583D+01  0.319013D+01 -0.515341D+01  0.312473D+01 -0.209131D+02
      2   0.945460D+00 -0.889660D+00  0.117214D+01  0.162606D+01 -0.132047D+02
      3   0.261037D+01 -0.230047D+01  0.398127D+01 -0.475080D+01  0.341178D+02
      4   0.814732D+00 -0.233716D+01 -0.286767D+01 -0.428443D+01  0.209762D+01
      5  -0.194684D+01  0.269026D+01  0.402300D+01  0.356033D+01 -0.183062D+02
      6  -0.360414D+01  0.820011D+01  0.260152D+00  0.615027D+01 -0.122071D+02
                91            92            93            94            95 
      1   0.156644D+02  0.427549D+01 -0.257875D+01  0.369061D+00 -0.389284D+01
      2  -0.846368D+01  0.224234D+00  0.276757D+01  0.300053D+01  0.982553D+01
      3  -0.720068D+01 -0.449972D+01 -0.188819D+00 -0.336959D+01 -0.593269D+01
      4   0.242811D+02  0.192283D+02 -0.123442D+02  0.163858D+02  0.169018D+02
      5  -0.204648D+02 -0.125920D+02  0.161772D+02 -0.927146D+01 -0.993890D+01
      6  -0.129701D+02 -0.117200D+02  0.103860D+02 -0.102302D+02 -0.138578D+02
                96            97            98            99           100 
      1   0.197548D+01 -0.103036D+01  0.171546D+01 -0.255066D+01 -0.335816D+01
      2  -0.173226D+01  0.236245D+01  0.172826D+00 -0.540513D+01  0.519623D+01
      3  -0.243221D+00 -0.133210D+01 -0.188829D+01  0.795578D+01 -0.183807D+01
      4  -0.929163D+01 -0.103430D+02 -0.865885D+01  0.976626D+01 -0.206923D+02
      5   0.680739D+01  0.142279D+02  0.918207D+01 -0.119801D+02 -0.176549D+02
      6   0.105183D+02  0.996729D+01  0.105368D+02 -0.120621D+02 -0.174718D+02
               101           102           103           104           105 
      1  -0.209199D+02 -0.155366D+02 -0.247455D+02  0.287135D+01 -0.890968D+01
      2   0.487345D+01  0.310559D+01  0.605698D+01  0.942774D+01 -0.713006D+01
      3   0.160464D+02  0.124310D+02  0.186885D+02 -0.122991D+02  0.160397D+02
      4  -0.853087D+01 -0.194023D+01 -0.119066D+02  0.256117D+01 -0.159786D+02
      5  -0.119869D+02 -0.799850D+01 -0.124524D+02 -0.172833D+02  0.108303D+02
      6  -0.698727D+01  0.277008D+01 -0.105917D+02  0.725747D+01 -0.213714D+02
               106           107           108           109           110 
      1  -0.116438D+02 -0.394599D+01 -0.260972D+01 -0.245450D+02 -0.317756D+02
      2   0.248126D+01 -0.726719D+01 -0.611718D+01  0.180991D+02  0.188926D+02
      3   0.916251D+01  0.112132D+02  0.872690D+01  0.644589D+01  0.128831D+02
      4   0.273382D+01 -0.103168D+02  0.115734D+02 -0.302777D+02 -0.190297D+01
      5  -0.738924D+01  0.121642D+02  0.738529D+01 -0.115858D+02  0.829925D+01
      6   0.774741D+01 -0.145207D+02  0.148558D+02  0.659905D+01 -0.312325D+01
               111           112           113           114           115 
      1  -0.111112D+02 -0.418131D+02 -0.340607D+01  0.245295D+01 -0.120748D+02
      2   0.216613D+01  0.267364D+02 -0.805964D+01  0.661151D+01  0.135307D+01
      3   0.894503D+01  0.150768D+02  0.114657D+02 -0.906447D+01  0.107217D+02
      4   0.905022D+01 -0.110045D+02  0.182307D+02 -0.161724D+02  0.113690D+02
      5   0.129146D+01  0.988046D+01 -0.146506D+02  0.155362D+02 -0.293850D+01
      6   0.345731D+00 -0.496791D+01  0.962880D+01 -0.929516D+01  0.398650D+01
               116           117           118           119           120 
      1   0.219956D+01  0.628261D+01 -0.109426D+00  0.197165D+01 -0.367007D+00
      2   0.887670D+01 -0.698456D+01  0.395636D+01 -0.295954D+01 -0.611307D+00
      3  -0.110763D+02  0.701945D+00 -0.384693D+01  0.987888D+00  0.978314D+00
      4  -0.175402D+02  0.173914D+02 -0.146483D+00  0.108314D+02 -0.106419D+01
      5   0.184100D+02  0.220264D+02  0.557628D+00  0.358936D+00  0.323248D+01
      6  -0.833460D+01 -0.898895D+01  0.134724D+00 -0.432157D+00 -0.160988D-01
               121           122           123           124           125 
      1   0.573275D+00 -0.308324D+02 -0.382526D+00 -0.629250D+00  0.348936D+00
      2   0.132495D+01  0.563026D+02 -0.643372D+00 -0.102797D+01 -0.193567D+01
      3  -0.189822D+01 -0.254702D+02  0.102590D+01  0.165722D+01  0.158674D+01
      4   0.838910D+01  0.136781D+01  0.304304D+00 -0.190731D+01 -0.701441D+00
      5   0.231959D+00  0.133493D+01  0.302622D+00  0.232609D+01  0.109902D+00
      6   0.444788D+00  0.528974D+01  0.696721D+01  0.799290D+00  0.854107D+01
               126           127           128           129           130 
      1  -0.430784D+01 -0.151646D+00  0.185375D+01  0.725879D+01  0.245341D+01
      2   0.368822D+01 -0.741595D+01  0.351759D+01  0.815157D+01  0.168980D+01
      3   0.619618D+00  0.756759D+01 -0.537134D+01 -0.154104D+02 -0.414321D+01
      4   0.295037D+00 -0.490281D+01  0.368691D+01  0.357801D+01  0.419121D+01
      5   0.141251D+01 -0.864735D+01  0.433718D+01  0.127050D+02  0.413050D+01
      6   0.570171D+00  0.533439D+01 -0.606046D+01 -0.804034D+01 -0.586437D+01
               131           132           133           134           135 
      1  -0.631049D+01 -0.966453D+01  0.431690D+01 -0.672872D+01 -0.176867D+02
      2  -0.418723D-01 -0.372685D+01  0.547428D+01 -0.452733D+01 -0.161401D+02
      3   0.635236D+01  0.133914D+02 -0.979117D+01  0.112561D+02  0.338268D+02
      4  -0.368244D+01 -0.347951D+01  0.315442D+01 -0.282652D+01 -0.462282D+01
      5  -0.502613D+01 -0.538916D+01  0.106246D+02 -0.526372D+01 -0.125881D+02
      6   0.112406D+02  0.134380D+02 -0.628476D+01  0.101812D+02  0.155743D+02
               136           137           138           139           140 
      1   0.138615D+01  0.177774D+01 -0.654396D+01  0.189635D+01 -0.175877D+01
      2  -0.110472D+02  0.150074D+01 -0.115909D+02  0.240685D+01  0.690272D+00
      3   0.966107D+01 -0.327848D+01  0.181348D+02 -0.430321D+01  0.106849D+01
      4   0.877796D+00  0.390172D+01 -0.259777D+00  0.367953D+01 -0.636544D+00
      5   0.192011D+02 -0.217503D+01  0.178592D+02 -0.395140D+01  0.237378D+01
      6  -0.263856D+01  0.411164D+01 -0.368984D+01  0.296589D+01 -0.391790D+01
               141           142           143           144           145 
      1   0.229724D+01 -0.233875D+01  0.803049D+00 -0.900310D+01 -0.786455D+01
      2   0.167297D+01 -0.819736D+01 -0.296023D+00 -0.125099D+02  0.160337D+01
      3  -0.397021D+01  0.105361D+02 -0.507027D+00  0.215131D+02  0.626118D+01
      4   0.113242D+01  0.285925D+00  0.158954D+01 -0.648718D+00  0.231112D+01
      5  -0.430987D+01  0.142441D+02 -0.223331D+01  0.146225D+02 -0.857715D+01
      6   0.590540D+01 -0.267321D+01  0.469230D+01 -0.181560D+01  0.670896D+01
               146           147           148           149           150 
      1   0.858664D+01  0.111337D+02  0.896806D+01 -0.861054D+01 -0.654489D+01
      2  -0.244712D+01  0.330141D+01 -0.352484D+01  0.331587D+01 -0.820913D+00
      3  -0.613952D+01 -0.144351D+02 -0.544322D+01  0.529467D+01  0.736580D+01
      4   0.418958D+00 -0.900157D+00  0.253970D+01  0.943746D+00  0.310860D+01
      5   0.404498D+01  0.187678D+01  0.582254D+01 -0.456723D+00 -0.828504D+00
      6  -0.584881D+01 -0.606100D+01 -0.368565D+01  0.699023D+01  0.946374D+01
               151           152           153           154           155 
      1   0.716540D+01 -0.593697D+01 -0.111491D+02  0.286947D+02  0.103625D+02
      2   0.129830D+01  0.664542D+00 -0.291945D+01 -0.167251D+02 -0.355757D+01
      3  -0.846370D+01  0.527242D+01  0.140685D+02 -0.119695D+02 -0.680493D+01
      4  -0.399697D+00  0.137463D+01  0.103317D-01  0.196785D+02  0.150134D+02
      5   0.580068D+01 -0.245504D+01 -0.277981D+01  0.288641D+02  0.130345D+02
      6  -0.535343D+01  0.822354D+01  0.586009D+01  0.126477D+02  0.102862D+02
               156           157           158           159           160 
      1   0.655063D+01  0.124373D+02  0.422796D+01  0.171147D+01  0.209876D+00
      2  -0.916548D+01 -0.458613D+01  0.238039D+00 -0.294930D+01 -0.386667D+01
      3   0.261485D+01 -0.785120D+01 -0.446599D+01  0.123783D+01  0.365679D+01
      4   0.751831D+01  0.169960D+02  0.146745D+02  0.839042D+01  0.197633D+01
      5   0.187472D+02  0.155444D+02  0.118891D+02  0.918938D+01  0.103168D+02
      6   0.621502D+01  0.107320D+02  0.993895D+01  0.959995D+01  0.367579D+01
               161           162           163           164           165 
      1  -0.155972D+00  0.112913D+01  0.190625D+01 -0.366897D+00  0.336222D+01
      2  -0.106659D+01 -0.430008D+01 -0.358082D+01  0.197768D+01 -0.435024D+01
      3   0.122257D+01  0.317095D+01  0.167457D+01 -0.161078D+01  0.988018D+00
      4   0.287851D+01  0.329336D+01 -0.178802D+01  0.560586D+01 -0.299223D+01
      5   0.415729D+01  0.750534D+01  0.770154D+01 -0.351242D+01  0.941727D+01
      6   0.564179D+01  0.274947D+01 -0.235503D+01  0.305430D+01 -0.251836D+01
               166           167           168           169           170 
      1  -0.133745D-01 -0.828630D+01  0.110433D+02  0.999603D+00  0.645930D+01
      2   0.331117D+01 -0.485781D+00  0.832708D+01 -0.489133D+01  0.547432D+01
      3  -0.329780D+01  0.877208D+01 -0.193703D+02  0.389173D+01 -0.119336D+02
      4   0.807067D+01 -0.136106D+02  0.111764D+02 -0.324563D+01  0.699700D+01
      5  -0.895521D+01  0.116462D+02 -0.164078D+02  0.949660D+01 -0.849398D+01
      6   0.694372D+01 -0.218746D+02  0.209835D+02 -0.398875D+01  0.145798D+02
               171           172           173           174           175 
      1  -0.123198D+02  0.264397D+01  0.121983D+01 -0.339861D+01  0.193594D+01
      2  -0.120467D+02 -0.336326D+01  0.462643D-01  0.296106D+01 -0.204739D+01
      3   0.243665D+02  0.719295D+00 -0.126609D+01  0.437553D+00  0.111445D+00
      4  -0.804465D+01  0.907413D+00  0.173432D+01  0.276396D+01  0.581584D+01
      5   0.157074D+02 -0.337403D+01  0.140352D+01  0.573811D+01  0.227112D+01
      6  -0.161010D+02  0.187842D+01 -0.367250D+00 -0.153501D+01 -0.160656D+01
               176           177           178           179           180 
      1  -0.185795D+01 -0.295397D+01 -0.953888D+01 -0.174651D+01 -0.668322D+01
      2   0.366497D+01  0.157766D+01  0.565394D+01  0.149864D+01 -0.485273D+01
      3  -0.180702D+01  0.137631D+01  0.388495D+01  0.247866D+00  0.115359D+02
      4  -0.844111D+01 -0.551683D+01  0.758164D+01 -0.901427D+01 -0.118375D+02
      5  -0.541657D+01 -0.102749D+02  0.124378D+02 -0.126415D+02 -0.344988D+02
      6   0.519006D+01  0.983167D+01 -0.443594D+01  0.101209D+02  0.174308D+02
               181           182           183           184           185 
      1   0.996159D+01 -0.421700D+01  0.381243D+01 -0.547159D+01 -0.273977D+01
      2  -0.236813D+01 -0.556413D+00 -0.689445D+00 -0.584367D+01  0.237033D+02
      3  -0.759346D+01  0.477341D+01 -0.312299D+01  0.113153D+02 -0.209635D+02
      4  -0.756391D+01  0.117129D+02 -0.520938D+01  0.228972D+02 -0.387106D+02
      5   0.420612D+01 -0.405782D+01  0.384117D+01 -0.621861D+01  0.123554D+02
      6  -0.301104D+01  0.133384D+01 -0.741204D+00  0.405794D+01 -0.100946D+02
               186           187           188           189           190 
      1   0.160228D+01  0.870724D+01  0.842550D+00 -0.180577D+01  0.708776D+02
      2  -0.731366D+01 -0.107855D+01 -0.903677D+01  0.321782D+01 -0.386503D+02
      3   0.571139D+01 -0.762869D+01  0.819422D+01 -0.141205D+01 -0.322273D+02
      4   0.132355D+02 -0.128631D+02  0.191193D+02 -0.121800D+02  0.800583D+01
      5  -0.121903D+02  0.814641D+01 -0.123657D+02  0.980374D+01 -0.993497D+00
      6   0.934126D+01 -0.498515D+01  0.999717D+01 -0.799669D+01 -0.149896D+01
               191           192           193           194           195 
      1   0.170150D+02  0.196478D+01  0.370208D+02  0.125068D+02  0.518331D+00
      2  -0.110705D+02 -0.941375D+00 -0.205332D+02 -0.511393D+01 -0.853416D+00
      3  -0.594448D+01 -0.102340D+01 -0.164876D+02 -0.739286D+01  0.335085D+00
      4   0.117289D+02  0.149602D+00  0.142143D+02  0.103497D+02  0.215832D+01
      5  -0.499730D+00  0.858799D+01 -0.191852D+01  0.134766D+01  0.478802D+01
      6  -0.809551D+00 -0.104945D+01 -0.790511D+00 -0.170596D+01  0.163979D+01
               196           197           198           199           200 
      1   0.656395D+01  0.516860D+00  0.571184D+01  0.249572D+02 -0.412485D+01
      2  -0.298369D+01 -0.166587D+01 -0.373152D+01 -0.129343D+02  0.274920D+00
      3  -0.358025D+01  0.114901D+01 -0.198032D+01 -0.120228D+02  0.384993D+01
      4  -0.708929D+00  0.309405D+01  0.114572D+00 -0.152974D+02  0.100408D+02
      5   0.103960D+02  0.975777D+00 -0.267950D-01  0.134300D+02 -0.246902D+01
      6  -0.389528D+00  0.211443D+01  0.958389D+00 -0.501037D+01  0.703266D+00
               201           202           203           204           205 
      1   0.106748D+02 -0.599819D+00  0.240688D+01  0.585177D+00  0.168828D+02
      2  -0.590429D+01 -0.126465D+01 -0.585705D+00 -0.808847D+00 -0.101007D+02
      3  -0.477047D+01  0.186447D+01 -0.182117D+01  0.223670D+00 -0.678208D+01
      4  -0.641951D+01  0.791316D+01 -0.333694D+01  0.328591D+01 -0.101612D+02
      5   0.115747D+02 -0.486922D+00  0.325258D+01 -0.216890D+01  0.142093D+02
      6  -0.445142D+01  0.186727D+01 -0.131970D+01  0.380125D+01 -0.667630D+01
               206           207           208           209           210 
      1  -0.120812D+00  0.783133D+01 -0.144650D+01  0.502792D+01 -0.303458D+01
      2  -0.208777D+01 -0.682544D+01  0.527493D+01 -0.923025D+01  0.426864D+01
      3   0.220859D+01 -0.100589D+01 -0.382844D+01  0.420233D+01 -0.123405D+01
      4   0.716160D+01 -0.986782D+01 -0.704549D+01  0.131924D+02 -0.504912D+01
      5  -0.553847D+01  0.132097D+02  0.236294D+01 -0.405163D+01  0.451006D+01
      6   0.383676D+01 -0.603306D+01 -0.528985D+01  0.745756D+01 -0.388050D+01
               211           212           213           214           215 
      1   0.379231D+01 -0.315447D+02  0.131162D+02 -0.411693D+01  0.211767D+02
      2  -0.739820D+01  0.480558D+02 -0.170743D+02  0.589109D+01 -0.258841D+02
      3   0.360589D+01 -0.165111D+02  0.395810D+01 -0.177415D+01  0.470736D+01
      4   0.847561D+01 -0.125058D+02  0.618816D+01 -0.492930D+01  0.898641D+01
      5  -0.227181D+01  0.508147D+01 -0.273199D+01  0.379475D+01 -0.502493D+01
      6   0.577338D+01 -0.263018D+02  0.180530D+02 -0.444482D+01  0.267643D+02
               216           217           218           219           220 
      1  -0.162844D+02 -0.111751D+01 -0.516562D+01 -0.329111D+01 -0.322102D+01
      2   0.139810D+02  0.346798D+01  0.111205D+02  0.550360D+01  0.648383D+01
      3   0.230334D+01 -0.235047D+01 -0.595492D+01 -0.221249D+01 -0.326281D+01
      4  -0.497808D+01  0.791455D+01  0.882403D+01  0.535764D+01  0.601986D+01
      5   0.454526D+01  0.307026D+01  0.206738D+01  0.388997D+01  0.133785D+01
      6  -0.207332D+02  0.587201D+01  0.609771D+01  0.480100D+01  0.537207D+01
               221           222           223           224           225 
      1  -0.166757D+02 -0.692130D+01 -0.625634D+01 -0.127433D+02 -0.121200D+02
      2   0.258304D+02  0.101210D+02  0.589158D+01  0.178465D+02  0.118182D+02
      3  -0.915469D+01 -0.319967D+01  0.364756D+00 -0.510324D+01  0.301815D+00
      4   0.686853D+01  0.442428D+01  0.645687D+01  0.555778D+01  0.500698D+01
      5   0.235831D+01  0.119223D+01  0.362185D+01  0.174771D+01  0.297243D+01
      6   0.116346D+02  0.131528D+02  0.639949D+01  0.183769D+02  0.172678D+02
               226           227           228           229           230 
      1   0.105108D+02 -0.622379D+00  0.503117D+01 -0.547111D+01 -0.224426D+01
      2  -0.808914D+01  0.351258D+00 -0.365811D+01  0.380418D+01  0.334028D+01
      3  -0.242164D+01  0.271122D+00 -0.137306D+01  0.166693D+01 -0.109601D+01
      4   0.178173D+01  0.132277D+01  0.286693D+01  0.217750D+01  0.374560D+01
      5   0.592642D+01  0.151397D+01  0.126467D+02  0.535565D+00  0.314787D+01
      6   0.235557D+01  0.593523D+00  0.376906D+01  0.115913D+01  0.517921D+00
               231           232           233           234           235 
      1  -0.159755D+00  0.136046D+02  0.155236D+01  0.590236D+01  0.703146D+02
      2   0.969096D+00 -0.823683D+01  0.122120D+01 -0.117873D+02 -0.407809D+02
      3  -0.809342D+00 -0.536772D+01 -0.277356D+01  0.588491D+01 -0.295337D+02
      4   0.370549D+01  0.920553D+01  0.937137D+01  0.589404D+01  0.729137D+01
      5  -0.156396D+00  0.185072D+02  0.412291D+01  0.387708D+02 -0.272532D+02
      6   0.393710D+01  0.626466D+01  0.512119D+01  0.172860D+02 -0.446613D+01
               236           237           238           239           240 
      1  -0.675079D+01 -0.198016D+02 -0.232812D+02  0.515953D+01  0.624360D+01
      2   0.591062D+01  0.134871D+02  0.144398D+02 -0.152520D+01 -0.553978D+01
      3   0.840173D+00  0.631458D+01  0.884148D+01 -0.363433D+01 -0.703819D+00
      4   0.909235D+01 -0.142032D+01  0.637812D+01 -0.274343D+01 -0.403164D+01
      5   0.249076D+01  0.184654D+02  0.862280D+01 -0.507182D+01 -0.670598D+01
      6  -0.690074D+00  0.414494D+01 -0.499294D+00 -0.289100D+00  0.635864D+00
               241           242           243           244           245 
      1  -0.274023D+02  0.246102D+01  0.136929D+02  0.207920D+01  0.578978D+01
      2   0.185241D+02 -0.395744D+01 -0.127101D+02  0.854832D+00 -0.481007D+01
      3   0.887818D+01  0.149642D+01 -0.982747D+00 -0.293403D+01 -0.979706D+00
      4  -0.404475D+01 -0.713117D+01  0.123176D+01  0.215178D+01  0.418862D+01
      5   0.236370D+02 -0.165908D+01 -0.138121D+02 -0.256080D+01 -0.450431D+00
      6   0.429067D+01  0.232183D+01 -0.146575D+01 -0.204165D+01  0.604091D+00
               246           247           248           249           250 
      1  -0.322084D+01  0.538852D+01 -0.215294D+02  0.502070D+01 -0.514568D+01
      2   0.185040D+01  0.349029D+01  0.461219D+02 -0.717477D+01  0.187387D+01
      3   0.137044D+01 -0.887881D+01 -0.245926D+02  0.215407D+01  0.327181D+01
      4  -0.107940D+01  0.174773D+02  0.497143D+02 -0.872621D+01 -0.460767D+01
      5   0.197733D+01 -0.220974D+01 -0.919866D+01  0.780217D+01  0.579929D+01
      6  -0.582760D+00 -0.283893D+01 -0.135932D+02  0.968697D+01  0.263363D+01
               251           252 
      1   0.535103D+01 -0.213457D+01
      2  -0.792124D+01  0.301382D+01
      3   0.257021D+01 -0.879251D+00
      4  -0.109101D+02  0.682770D+01
      5   0.693527D+01 -0.224982D+01
      6   0.104358D+02 -0.453732D+01
 Leave Link  716 at Fri Jul  9 21:04:42 2021, MaxMem= 17179869184 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130458D+03  0.466675D-01  0.669666D+00
      2   0.466675D-01  0.116243D+03 -0.890554D-01
      3   0.669666D+00 -0.890554D-01  0.111678D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.274028D+01  0.872656D+00  0.307129D+01
      2   0.339627D+01 -0.944569D+00  0.737764D+01
      3   0.402158D+01  0.260152D+01 -0.174313D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.441610D+01 -0.223077D+02  0.119292D+02
      2  -0.720511D+01  0.102115D+02 -0.406769D+01
      3   0.116212D+02  0.120962D+02 -0.786150D+01
      4  -0.310162D+02 -0.103031D+02  0.270073D+01
      5   0.189873D+02  0.167398D+01  0.184766D+02
      6   0.436692D+00  0.403489D+01 -0.415457D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.102996D+01 -0.314925D+01  0.109401D+01 -0.359794D+01  0.221719D+00
      2  -0.314925D+01 -0.799069D+00  0.131433D+01  0.221719D+00  0.336596D+01
      3   0.109401D+01  0.131433D+01  0.288440D+01  0.187729D+01 -0.140715D+01
                 6             7             8             9            10 
      1   0.187729D+01  0.515409D+00  0.232104D+01  0.456413D+01 -0.112065D+00
      2  -0.140715D+01  0.232104D+01 -0.234018D+01 -0.236916D+01  0.410117D+01
      3  -0.161477D+01  0.456413D+01 -0.236916D+01 -0.484891D+00  0.163973D+01
                11            12            13            14            15 
      1   0.410117D+01  0.163973D+01  0.533117D+01  0.808621D+00  0.214279D+00
      2   0.177060D+01 -0.295046D+00  0.808621D+00 -0.565039D+01  0.600833D+00
      3  -0.295046D+00 -0.214683D+01  0.214279D+00  0.600833D+00  0.125947D+01
                16            17            18            19            20 
      1   0.303089D+01 -0.922266D-01 -0.255957D+01  0.107777D+01  0.174442D+01
      2  -0.922266D-01  0.191601D+01  0.132675D+01  0.174442D+01  0.723973D+00
      3  -0.255957D+01  0.132675D+01 -0.655210D+01 -0.783639D+00 -0.343516D+01
                21            22            23            24            25 
      1  -0.783639D+00  0.256926D+01  0.636548D+00 -0.342991D+01 -0.519133D+00
      2  -0.343516D+01  0.636548D+00 -0.434686D+01  0.157706D+01 -0.419395D+01
      3  -0.784822D+00 -0.342991D+01  0.157706D+01 -0.247419D+01 -0.772786D+00
                26            27            28            29            30 
      1  -0.419395D+01 -0.772786D+00 -0.331565D+01 -0.272821D+01  0.951802D+00
      2   0.228984D+01 -0.441923D+01 -0.272821D+01 -0.243638D+01  0.504687D+01
      3  -0.441923D+01 -0.422481D+00  0.951802D+00  0.504687D+01 -0.153809D+01
                31            32            33            34            35 
      1  -0.280279D+01 -0.206386D+01  0.533503D+01  0.786016D+00  0.596138D+01
      2  -0.206386D+01  0.174733D+01  0.728989D+00  0.596138D+01 -0.129957D+01
      3   0.533503D+01  0.728989D+00  0.341036D+01 -0.202871D+01  0.240199D+01
                36            37            38            39            40 
      1  -0.202871D+01  0.589020D+01  0.574109D+01  0.349616D+01  0.681297D+01
      2   0.240199D+01  0.574109D+01  0.209265D+01 -0.199800D+01  0.293906D+01
      3  -0.101760D+01  0.349616D+01 -0.199800D+01  0.900886D+00 -0.284713D+01
                41            42            43            44            45 
      1   0.293906D+01 -0.284713D+01  0.548894D+01 -0.227272D+01  0.846268D-01
      2  -0.367575D+01  0.331900D+01 -0.227272D+01  0.554580D+01 -0.320734D+01
      3   0.331900D+01 -0.289851D+01  0.846268D-01 -0.320734D+01 -0.256291D+01
                46            47            48            49            50 
      1  -0.485347D+01 -0.378787D+01 -0.299922D+01 -0.479626D+01 -0.198414D+00
      2  -0.378787D+01 -0.630289D+00 -0.107436D+00 -0.198414D+00  0.957376D+01
      3  -0.299922D+01 -0.107436D+00 -0.183345D+01 -0.198121D+00 -0.991502D+00
                51            52            53            54            55 
      1  -0.198121D+00 -0.674390D+01 -0.650951D+00 -0.204907D-01  0.187959D+01
      2  -0.991502D+00 -0.650951D+00 -0.913917D+00 -0.196668D+01 -0.317860D+00
      3  -0.320378D+01 -0.204907D-01 -0.196668D+01  0.406416D+01  0.395264D+01
                56            57            58            59            60 
      1  -0.317860D+00  0.395264D+01 -0.635191D+00 -0.196951D+01 -0.352835D+01
      2  -0.197216D+01 -0.369505D+01 -0.196951D+01 -0.154697D+01 -0.170118D+01
      3  -0.369505D+01  0.992246D+00 -0.352835D+01 -0.170118D+01  0.259932D+01
                61            62            63            64            65 
      1   0.281060D+01 -0.270659D+01  0.815396D+00 -0.298941D+01  0.180983D+01
      2  -0.270659D+01 -0.172293D+01  0.222946D+01  0.180983D+01 -0.131550D+01
      3   0.815396D+00  0.222946D+01 -0.304294D+00  0.179721D+01 -0.109227D+01
                66            67            68            69            70 
      1   0.179721D+01  0.181263D+01 -0.174526D+01 -0.128983D+01  0.319942D+01
      2  -0.109227D+01 -0.174526D+01  0.232762D+01  0.195413D+01 -0.194294D+01
      3  -0.184507D+01 -0.128983D+01  0.195413D+01  0.170562D+01 -0.325889D+01
                71            72            73            74            75 
      1  -0.194294D+01 -0.325889D+01  0.218149D+01 -0.417439D+01 -0.308426D+01
      2   0.276720D+01  0.255209D+01 -0.417439D+01 -0.219431D+01  0.668072D+00
      3   0.255209D+01  0.429826D+01 -0.308426D+01  0.668072D+00  0.238861D+01
                76            77            78            79            80 
      1  -0.616681D+01 -0.351011D+00  0.511254D+00 -0.415237D+01  0.211389D+00
      2  -0.351011D+00  0.696366D+01 -0.215614D+01  0.211389D+00 -0.251167D+01
      3   0.511254D+00 -0.215614D+01 -0.697382D+00  0.338133D+01  0.320947D-01
                81            82            83            84            85 
      1   0.338133D+01  0.598956D+00 -0.565106D+00  0.984200D+00 -0.859610D+00
      2   0.320947D-01 -0.565106D+00 -0.132349D+00 -0.846921D-02 -0.218661D+00
      3   0.504116D+01  0.984200D+00 -0.846921D-02  0.626273D+00  0.909643D-01
                86            87            88            89            90 
      1  -0.218661D+00  0.909643D-01  0.210557D+01  0.313954D+00  0.434193D+00
      2  -0.347597D+00  0.111304D+01  0.313954D+00  0.114571D+01 -0.126854D+01
      3   0.111304D+01 -0.118902D+01  0.434193D+00 -0.126854D+01  0.804352D+01
                91            92            93            94            95 
      1   0.612992D+01  0.332782D+01 -0.269014D+01  0.255325D+01  0.234050D+01
      2   0.332782D+01  0.314565D+01 -0.210192D+01  0.234050D+01  0.352103D+01
      3  -0.269014D+01 -0.210192D+01  0.235943D+01 -0.176360D+01 -0.168625D+01
                96            97            98            99           100 
      1  -0.176360D+01 -0.202550D+01 -0.177122D+01  0.234576D+01 -0.204050D+01
      2  -0.168625D+01 -0.177122D+01 -0.147383D+01  0.169568D+01 -0.502829D+01
      3   0.126101D+01  0.234576D+01  0.169568D+01 -0.252184D+01 -0.362300D+01
               101           102           103           104           105 
      1  -0.502829D+01 -0.362300D+01 -0.544285D+01 -0.198887D+01  0.136018D+01
      2  -0.118518D+01  0.101250D+01 -0.198887D+01  0.122837D+01 -0.443128D+01
      3   0.101250D+01  0.533949D+00  0.136018D+01 -0.443128D+01  0.323518D+01
               106           107           108           109           110 
      1  -0.289357D+01  0.149305D+01  0.571624D+00 -0.284303D+01 -0.491248D+01
      2   0.149305D+01 -0.339323D+01  0.281500D+01 -0.491248D+01 -0.821053D+00
      3   0.571624D+00  0.281500D+01  0.163247D+01 -0.227327D+01  0.145193D+01
               111           112           113           114           115 
      1  -0.227327D+01 -0.633285D+01 -0.292512D+01  0.187399D+01 -0.272804D+01
      2   0.145193D+01 -0.292512D+01  0.371994D+01 -0.282674D+01  0.161657D+01
      3   0.558890D+00  0.187399D+01 -0.282674D+01  0.278260D+01 -0.630698D+00
               116           117           118           119           120 
      1   0.161657D+01 -0.630698D+00  0.193132D+00 -0.101081D+01  0.482549D+00
      2  -0.353983D+01  0.359409D+01 -0.101081D+01  0.697350D+00 -0.160260D+00
      3   0.359409D+01  0.448862D+01  0.482549D+00 -0.160260D+00  0.181068D+00
               121           122           123           124           125 
      1  -0.155808D+01 -0.350863D+00  0.157791D+00  0.853622D+00  0.111996D+00
      2  -0.350863D+00 -0.112919D+02  0.139440D+00  0.111996D+00  0.349527D+00
      3   0.157791D+00  0.139440D+00 -0.796049D+00 -0.111653D+00 -0.114630D+01
               126           127           128           129           130 
      1  -0.111653D+00  0.216532D+01 -0.107518D+01 -0.206215D+01 -0.118998D+01
      2  -0.114630D+01 -0.107518D+01  0.130596D+01  0.132894D+01  0.106911D+01
      3  -0.455254D-01 -0.206215D+01  0.132894D+01  0.291971D+01  0.122373D+01
               131           132           133           134           135 
      1   0.106911D+01  0.122373D+01 -0.167756D+01  0.953250D+00  0.213490D+01
      2  -0.171743D+01 -0.178314D+01  0.953250D+00 -0.153520D+01 -0.233654D+01
      3  -0.178314D+01 -0.291961D+01  0.213490D+01 -0.233654D+01 -0.600711D+01
               136           137           138           139           140 
      1  -0.496003D+01  0.413686D+00 -0.334502D+01  0.972173D+00 -0.724779D+00
      2   0.413686D+00 -0.779465D+00  0.673555D+00 -0.724779D+00  0.659922D+00
      3  -0.334502D+01  0.673555D+00 -0.394379D+01  0.108641D+01 -0.778828D+00
               141           142           143           144           145 
      1   0.108641D+01 -0.219532D+01  0.487759D+00 -0.245390D+01 -0.362189D+01
      2  -0.778828D+00  0.487759D+00 -0.400718D+00  0.151564D+00  0.181488D+01
      3   0.101046D+01 -0.245390D+01  0.151564D+00 -0.410650D+01  0.126624D+01
               146           147           148           149           150 
      1   0.181488D+01  0.126624D+01  0.207713D+01 -0.104705D+01 -0.711098D+00
      2  -0.140595D+01 -0.102306D+01 -0.104705D+01  0.165804D+01  0.148456D+01
      3  -0.102306D+01 -0.257738D+01 -0.711098D+00  0.148456D+01  0.146676D+01
               151           152           153           154           155 
      1   0.134626D+01 -0.751970D+00 -0.133579D+01  0.661667D+01  0.309193D+01
      2  -0.751970D+00  0.124918D+01  0.930551D+00  0.309193D+01  0.230012D+01
      3  -0.133579D+01  0.930551D+00  0.223340D+01  0.284053D+01  0.112778D+01
               156           157           158           159           160 
      1   0.284053D+01  0.368961D+01  0.257056D+01  0.135019D+01  0.795725D+00
      2   0.112778D+01  0.257056D+01  0.247895D+01  0.170467D+01  0.300966D+00
      3   0.238328D+01  0.135019D+01  0.170467D+01  0.124491D+01  0.115989D+01
               161           162           163           164           165 
      1   0.300966D+00  0.115989D+01  0.107707D+01 -0.368023D+00  0.139031D+01
      2   0.594330D+00  0.540098D+00 -0.368023D+00  0.622532D+00 -0.463778D+00
      3   0.540098D+00  0.921822D+00  0.139031D+01 -0.463778D+00  0.829147D+00
               166           167           168           169           170 
      1  -0.114008D+01  0.136822D+01 -0.147708D+01  0.111243D+01 -0.735853D+00
      2   0.136822D+01 -0.408049D+01  0.344751D+01 -0.735853D+00  0.212755D+01
      3  -0.147708D+01  0.344751D+01 -0.479770D+01  0.117397D+01 -0.261748D+01
               171           172           173           174           175 
      1   0.117397D+01  0.207807D+00  0.232262D+00 -0.808603D+00  0.600205D-01
      2  -0.261748D+01  0.232262D+00  0.363213D-01  0.951349D-01  0.783891D+00
      3   0.467310D+01 -0.808603D+00  0.951349D-01  0.270687D+00  0.288693D+00
               176           177           178           179           180 
      1   0.783891D+00  0.288693D+00 -0.217594D+01  0.838367D+00  0.135816D+01
      2  -0.160596D+01 -0.111929D+01  0.838367D+00 -0.151601D+01 -0.228884D+01
      3  -0.111929D+01 -0.187345D+01  0.135816D+01 -0.228884D+01 -0.648676D+01
               181           182           183           184           185 
      1   0.166558D+01 -0.882214D+00  0.747870D+00 -0.217193D+01  0.323571D+01
      2  -0.882214D+00  0.823119D+00 -0.483468D+00  0.323571D+01 -0.670725D+01
      3   0.747870D+00 -0.483468D+00  0.248478D+00 -0.995768D+00  0.233979D+01
               186           187           188           189           190 
      1  -0.995768D+00  0.224849D+01 -0.174516D+01  0.118782D+01  0.941771D+01
      2   0.233979D+01 -0.174516D+01  0.337870D+01 -0.223498D+01  0.203405D+01
      3  -0.197375D+01  0.118782D+01 -0.223498D+01  0.168044D+01  0.304460D+00
               191           192           193           194           195 
      1   0.203405D+01  0.304460D+00  0.562703D+01  0.219356D+01 -0.143054D+00
      2   0.154261D+01  0.425754D-01  0.219356D+01  0.141070D+01  0.340635D+00
      3   0.425754D-01  0.767923D+00 -0.143054D+00  0.340635D+00  0.522216D+00
               196           197           198           199           200 
      1   0.109137D+01 -0.687476D-01  0.120861D+01 -0.457032D+01  0.107580D+01
      2  -0.687476D-01  0.528783D+00  0.222014D-02  0.107580D+01 -0.118995D+01
      3   0.120861D+01  0.222014D-02 -0.964562D-01 -0.214820D+01  0.406492D+00
               201           202           203           204           205 
      1  -0.214820D+01  0.685526D+00 -0.814417D+00  0.118617D+00 -0.350073D+01
      2   0.406492D+00 -0.814417D+00  0.188480D+00 -0.447489D+00  0.306810D+00
      3  -0.173652D+01  0.118617D+00 -0.447489D+00  0.357938D+00 -0.223039D+01
               206           207           208           209           210 
      1   0.306810D+00 -0.223039D+01 -0.125597D+01  0.137254D+01 -0.691323D+00
      2  -0.132829D+01  0.942388D+00  0.137254D+01 -0.181733D+01  0.109058D+01
      3   0.942388D+00 -0.247199D+01 -0.691323D+00  0.109058D+01 -0.417132D+00
               211           212           213           214           215 
      1   0.996844D+00 -0.146790D+01  0.790831D+00 -0.119387D+01  0.143622D+01
      2  -0.146790D+01  0.800417D+01 -0.319501D+01  0.143622D+01 -0.519601D+01
      3   0.790831D+00 -0.319501D+01  0.216668D+01 -0.593294D+00  0.365465D+01
               216           217           218           219           220 
      1  -0.593294D+00  0.167061D+01  0.959373D+00  0.118263D+01  0.740683D+00
      2   0.365465D+01  0.959373D+00  0.197045D+01  0.125418D+01  0.112970D+01
      3  -0.305946D+01  0.118263D+01  0.125418D+01  0.127305D+01  0.827642D+00
               221           222           223           224           225 
      1   0.112970D+01  0.827642D+00  0.160391D+01  0.117116D+01  0.127334D+01
      2   0.437781D+01  0.193610D+01  0.117116D+01  0.332859D+01  0.285796D+01
      3   0.193610D+01  0.183091D+01  0.127334D+01  0.285796D+01  0.339001D+01
               226           227           228           229           230 
      1  -0.147509D+01  0.177173D+00 -0.945542D+00  0.842687D+00 -0.298171D+00
      2   0.177173D+00 -0.272013D-01 -0.209116D+00 -0.298171D+00 -0.708649D+00
      3  -0.945542D+00 -0.209116D+00 -0.136875D+01 -0.886732D-01 -0.581864D+00
               231           232           233           234           235 
      1  -0.886732D-01 -0.280289D+01 -0.977289D+00 -0.231922D+01 -0.951971D+01
      2  -0.581864D+00 -0.977289D+00 -0.138973D+01 -0.657815D+00  0.583176D+00
      3   0.709328D-01 -0.231922D+01 -0.657815D+00 -0.632597D+01  0.291248D+01
               236           237           238           239           240 
      1   0.583176D+00  0.291248D+01  0.363097D+01 -0.103138D+01 -0.921038D+00
      2  -0.100705D+01 -0.329619D+00 -0.103138D+01  0.273785D+00  0.704779D+00
      3  -0.329619D+00 -0.185706D+01 -0.921038D+00  0.704779D+00  0.809444D+00
               241           242           243           244           245 
      1   0.451057D+01 -0.725375D-01 -0.267725D+01 -0.244664D+00 -0.479496D+00
      2  -0.725375D-01  0.110679D+01  0.206749D+00 -0.479496D+00  0.681898D+00
      3  -0.267725D+01  0.206749D+00  0.149981D+01  0.411551D+00 -0.110288D+00
               246           247           248           249           250 
      1   0.411551D+00 -0.170760D+01 -0.210195D+01  0.286751D+00  0.110960D+01
      2  -0.110288D+00 -0.210195D+01 -0.982025D+01  0.171532D+01  0.458261D+00
      3  -0.691107D-01  0.286751D+00  0.171532D+01 -0.129560D+01 -0.701106D+00
               251           252 
      1   0.458261D+00 -0.701106D+00
      2   0.223311D+01 -0.142043D+01
      3  -0.142043D+01  0.499110D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.484255D+01 -0.354405D+01 -0.347186D+01 -0.413743D+01  0.690267D+01
      2  -0.344752D+01 -0.233010D+01 -0.662802D+01 -0.301551D+01  0.323958D+01
      3  -0.892311D+01 -0.106583D+02  0.629120D+01 -0.387247D+01  0.726033D+01
                 6             7             8             9            10 
      1   0.110501D+01 -0.480281D+01  0.585295D+01 -0.345216D+00  0.466027D+01
      2   0.416455D+01 -0.155649D+02  0.544868D+01  0.154737D+00 -0.420636D+01
      3  -0.567888D-02  0.794906D+01 -0.660959D+00  0.506803D+00  0.907101D+01
                11            12            13            14            15 
      1   0.253800D+01 -0.145626D+01  0.208790D+01 -0.393217D+01 -0.952393D+00
      2  -0.133974D+01  0.463763D+01 -0.205314D+01 -0.260368D+01 -0.219746D+01
      3  -0.423287D+01 -0.258262D+01  0.282383D+01 -0.125281D+02  0.147738D+01
                16            17            18            19            20 
      1  -0.689347D+00  0.632034D+01 -0.485440D+01  0.221807D+01  0.110387D+02
      2   0.102579D+01 -0.229541D+01  0.156866D+02 -0.212029D+01  0.144065D+01
      3  -0.304136D+01  0.344895D+01  0.217013D+01  0.370950D+01  0.491038D+01
                21            22            23            24            25 
      1   0.290744D+01  0.106467D+02 -0.336615D+01  0.572826D+01  0.435274D+01
      2   0.194344D+01  0.170516D+01  0.621868D-01 -0.470514D+00 -0.203698D+01
      3  -0.265736D+01  0.116110D+02  0.279954D+00 -0.871673D+01 -0.300499D+01
                26            27            28            29            30 
      1   0.148312D+02  0.399245D+01  0.124165D+01 -0.799864D+01 -0.556499D+01
      2  -0.145585D+01  0.172429D+01 -0.118731D+00  0.418965D+01  0.129031D+01
      3  -0.102323D+02 -0.268070D+01  0.258092D+01 -0.495897D+01 -0.232415D+01
                31            32            33            34            35 
      1  -0.753141D+01 -0.290016D+01 -0.818673D+01 -0.392767D+01 -0.105011D+01
      2   0.416577D+01  0.800248D-01  0.946337D+01 -0.535979D+01  0.109096D+02
      3   0.810616D+00 -0.393007D+01  0.654120D+01 -0.488229D+01  0.875030D+01
                36            37            38            39            40 
      1  -0.339152D+01  0.502148D+01  0.448285D+00 -0.400492D-01  0.227962D+01
      2  -0.236681D+01  0.559860D+01 -0.508307D+01  0.380120D+01 -0.692343D+01
      3  -0.409831D+01 -0.141899D+02 -0.121414D+02  0.220346D+01 -0.367913D+01
                41            42            43            44            45 
      1   0.115070D+01 -0.401250D+01 -0.959480D+00  0.468514D+01 -0.393961D+01
      2   0.756302D+01 -0.741151D+01 -0.720904D+01 -0.758146D+01 -0.692903D+01
      3   0.452702D+01 -0.579001D+01  0.101603D+01 -0.102643D+02  0.765323D+01
                46            47            48            49            50 
      1  -0.632700D+01 -0.851139D+00 -0.126374D+01  0.118553D+00 -0.202562D+00
      2  -0.209154D+01 -0.129057D+01  0.314048D+00 -0.538506D+00  0.308873D+00
      3   0.569931D+01  0.358451D+01  0.333455D+01  0.114348D+02  0.334710D+01
                51            52            53            54            55 
      1  -0.763130D+01 -0.291276D+01 -0.219714D+01  0.989534D+01  0.276804D+01
      2   0.226554D+01 -0.574009D+01 -0.355949D+00 -0.278275D+01  0.564348D+01
      3   0.700759D+00  0.758058D+01  0.580115D+00 -0.887053D+00 -0.536691D+00
                56            57            58            59            60 
      1   0.627925D+01  0.107490D+02  0.257584D+01  0.293070D+01  0.543857D+01
      2  -0.236107D+01  0.145644D+02 -0.247346D+01 -0.755208D+01 -0.114390D+02
      3  -0.139801D+01 -0.252846D+01  0.272012D+01  0.140642D+01  0.183836D+01
                61            62            63            64            65 
      1   0.918354D+01  0.871609D+01 -0.808005D+01 -0.176849D+01  0.330403D+00
      2   0.585559D+01 -0.787763D+01  0.941591D+00 -0.196372D+01  0.165195D+01
      3  -0.125529D+01  0.176821D+01  0.689045D-01 -0.122230D+01 -0.197287D+01
                66            67            68            69            70 
      1   0.293818D+01  0.153528D+01 -0.111444D+01 -0.319780D+01  0.396394D+01
      2   0.487552D+01  0.132823D+01 -0.357387D+01 -0.389654D+01  0.309936D+01
      3   0.200377D+00  0.181863D+01  0.250198D+01  0.134541D+01  0.186271D+01
                71            72            73            74            75 
      1   0.250410D+00 -0.615007D+01 -0.622607D+01 -0.630966D+00  0.371156D+01
      2  -0.429968D+01 -0.853924D+01  0.108681D+02 -0.101726D+00 -0.545473D+01
      3   0.453363D+01  0.183444D+00 -0.183708D+02 -0.185169D+01  0.665410D+01
                76            77            78            79            80 
      1  -0.101913D+00 -0.302567D+01 -0.231853D+01  0.574469D+01  0.173869D+01
      2  -0.313620D-01  0.719930D+01  0.150555D+01 -0.136120D+02 -0.153745D+01
      3   0.109942D+02  0.249750D+02 -0.846382D+01  0.669399D+01 -0.801745D+01
                81            82            83            84            85 
      1   0.777160D+01  0.483588D+00 -0.237773D+00  0.724974D+00 -0.133461D+00
      2  -0.179310D+02 -0.358730D+01  0.463563D-01 -0.153649D+01  0.379435D+00
      3  -0.463304D+01 -0.203774D+01 -0.315542D+00 -0.387238D+00  0.243116D+01
                86            87            88            89            90 
      1   0.481886D+00 -0.774378D+00  0.106147D+01  0.310388D+01  0.473072D+01
      2  -0.164139D+01  0.156959D+01 -0.721410D+01  0.140999D+01 -0.149693D+02
      3   0.545847D+00  0.194507D+01 -0.150685D+01  0.206853D+01 -0.145656D+01
                91            92            93            94            95 
      1  -0.491773D+00 -0.185103D+01 -0.200152D+01 -0.474358D+00 -0.275431D+01
      2   0.429336D+01  0.870689D+00  0.264832D+01  0.186320D+01  0.744607D+00
      3   0.548427D+01 -0.277377D+01 -0.768648D+00  0.352104D+01 -0.174225D+01
                96            97            98            99           100 
      1  -0.178676D+01 -0.102043D+01  0.185556D+01  0.256842D+01 -0.106816D+02
      2   0.831956D+00 -0.176067D+01 -0.477104D+00 -0.147386D+01 -0.271124D+01
      3  -0.494023D+00 -0.205080D+01  0.183443D+00  0.122876D+01  0.948850D+01
               101           102           103           104           105 
      1  -0.200994D+01  0.187346D+01 -0.560849D+01  0.242838D+01 -0.140740D+02
      2   0.126818D+02  0.126367D+02  0.148393D+02 -0.494120D+01  0.367467D+01
      3  -0.339021D+00 -0.276272D+01  0.495877D+01 -0.242286D+01  0.898049D+01
               106           107           108           109           110 
      1   0.394066D+01 -0.650116D+01  0.654505D+01 -0.880344D+00  0.184325D+01
      2   0.630448D+01  0.201514D+01  0.117967D+01 -0.715020D+01  0.295014D+01
      3  -0.372192D+01  0.680165D+01 -0.518845D+01  0.199840D+02  0.872343D+01
               111           112           113           114           115 
      1  -0.184917D+00  0.278101D+01 -0.460527D+01  0.331743D+01 -0.252982D+01
      2   0.200295D+01  0.265948D+01 -0.932606D+01  0.110211D+02 -0.682737D+01
      3  -0.218310D+01  0.187914D+02 -0.996642D+01  0.668549D+01 -0.187835D+01
               116           117           118           119           120 
      1   0.817901D+01  0.598837D+01  0.123600D+01 -0.196723D+00 -0.201897D-01
      2   0.132522D+02  0.168280D+02 -0.413402D+00 -0.179264D+00  0.112870D+01
      3   0.769631D+01 -0.111623D+02 -0.169564D+00 -0.763860D+00 -0.529663D+00
               121           122           123           124           125 
      1   0.446283D+00  0.271485D+01 -0.586505D+01  0.211036D+00 -0.294264D+00
      2  -0.197620D-01 -0.722917D+00  0.379557D+00 -0.155134D+01  0.173081D+00
      3   0.771129D+01 -0.134573D+01 -0.208952D+00 -0.148231D+01 -0.246696D+00
               126           127           128           129           130 
      1   0.809243D-02  0.238200D+01 -0.438406D+01 -0.201412D+01 -0.271652D+01
      2   0.100983D-01  0.771843D+01 -0.294416D+01 -0.295668D+01 -0.421423D+01
      3   0.170632D-01 -0.164023D+01 -0.607907D+00  0.752143D+00  0.252114D+01
               131           132           133           134           135 
      1   0.414156D+01  0.863270D+00 -0.193484D+01  0.452653D+01  0.288439D+01
      2   0.267701D+01  0.259045D+01 -0.654529D+01  0.249881D+01  0.287271D+01
      3  -0.173706D+00 -0.257311D+00  0.141917D+01  0.595289D+00 -0.631363D+00
               136           137           138           139           140 
      1  -0.192327D+01  0.441290D+01 -0.264302D+01  0.197681D+01 -0.240842D+01
      2  -0.156108D+02  0.110017D+01 -0.481594D+01  0.314170D+01 -0.166104D+01
      3   0.124269D+01 -0.287053D+01  0.129838D+01  0.591827D+00  0.619703D+00
               141           142           143           144           145 
      1   0.895556D-01 -0.170348D+01  0.282235D+01 -0.968437D+00  0.432805D+01
      2   0.229099D+01 -0.715574D+01  0.983825D+00 -0.421526D+01  0.146463D+02
      3  -0.261246D+00  0.265532D+00 -0.193627D+01  0.919900D+00 -0.573079D+01
               146           147           148           149           150 
      1  -0.496519D+01 -0.541834D+00 -0.374950D+01  0.484824D+01  0.853936D+00
      2  -0.624847D+01 -0.483550D+01 -0.733167D+01  0.526107D+01  0.308282D+01
      3   0.169783D+01  0.171698D+01  0.434251D+01 -0.262627D+01 -0.225921D+01
               151           152           153           154           155 
      1  -0.138579D+01  0.348192D+01  0.947551D+00  0.646746D+01  0.575195D+01
      2  -0.734166D+01  0.341956D+01  0.518296D+01 -0.892986D+01 -0.418563D+01
      3   0.231346D+01 -0.121280D+01 -0.181444D+01 -0.278459D+01 -0.582059D+01
               156           157           158           159           160 
      1   0.741113D+00  0.492778D+01  0.538315D+01  0.140462D+01  0.611090D+00
      2   0.171393D+01 -0.629057D+01 -0.196500D+01  0.801481D+00 -0.174856D+01
      3  -0.178229D+01 -0.150187D+01 -0.497569D+01 -0.254705D+01  0.604377D-01
               161           162           163           164           165 
      1   0.221657D+01  0.816497D+00 -0.649190D+00  0.187259D+01 -0.836235D+00
      2  -0.416794D+00 -0.596088D+00  0.648940D+00 -0.275285D+00  0.475061D-01
      3  -0.109796D+01 -0.470496D+00  0.537430D+00 -0.186968D+01  0.995507D+00
               166           167           168           169           170 
      1   0.296533D+01 -0.108664D+02  0.512228D+01 -0.203334D+01  0.784859D+01
      2   0.132853D+01  0.371129D+01 -0.661345D+01 -0.260327D+01 -0.266693D+01
      3  -0.166173D+00  0.737039D+01 -0.592445D+01  0.498006D+00 -0.432561D+01
               171           172           173           174           175 
      1  -0.566284D+01 -0.167321D+01  0.673837D-01 -0.257587D+00 -0.269587D-01
      2   0.577142D+01 -0.315923D+01  0.880474D+00 -0.236271D-01  0.456967D+00
      3   0.462421D+01 -0.193975D+00 -0.105073D+01  0.771677D+00 -0.842130D+00
               176           177           178           179           180 
      1   0.207569D+00 -0.309295D+01  0.137251D+00  0.501431D+00 -0.853942D+01
      2  -0.267063D+01 -0.589516D+01 -0.197800D+01 -0.603343D+01 -0.210397D+02
      3   0.343767D+01  0.278777D+01  0.146192D+01  0.414556D+01  0.602391D+01
               181           182           183           184           185 
      1   0.116257D+01 -0.897557D+00  0.899090D+00 -0.184496D+01  0.373844D+01
      2   0.246179D+01 -0.183639D+01  0.218546D+01 -0.247458D+01  0.789450D+01
      3   0.102921D+01 -0.352709D+01  0.670877D+00 -0.424866D+01  0.171988D+02
               186           187           188           189           190 
      1  -0.611766D+01  0.128208D+01 -0.201042D+01  0.383129D+01 -0.359059D+00
      2  -0.748497D+01  0.195170D+01 -0.642338D+01  0.534975D+01  0.294886D+01
      3  -0.594004D+01  0.104338D+01 -0.882553D+01  0.547867D+01 -0.161720D+02
               191           192           193           194           195 
      1  -0.372597D+00  0.225105D+00 -0.552466D+00 -0.117846D+00 -0.107995D+01
      2   0.111175D+01  0.575950D+01  0.990887D+00  0.173812D+01  0.285694D+01
      3  -0.104191D+02 -0.543842D+00 -0.997032D+01 -0.810310D+01 -0.111193D+01
               196           197           198           199           200 
      1   0.969526D+00  0.360135D+00 -0.268887D+00  0.362649D+01  0.380016D+00
      2   0.215314D+01 -0.175556D+00 -0.493968D-04  0.509115D+01 -0.100632D+01
      3  -0.581950D+00 -0.192992D+01 -0.969109D+00 -0.450721D+01 -0.353460D+01
               201           202           203           204           205 
      1   0.308206D+01 -0.954154D-01  0.396898D+00 -0.164274D+01  0.299631D+01
      2   0.684747D+01 -0.855569D-01  0.118766D+01 -0.942645D+00  0.412049D+01
      3  -0.236825D+01  0.738823D+00 -0.167528D+01 -0.536892D+00 -0.503819D+01
               206           207           208           209           210 
      1  -0.103248D+00  0.467697D+01  0.111364D+01 -0.262341D+01  0.154457D+01
      2  -0.200205D+01  0.765656D+01 -0.810623D+00  0.259341D+00  0.123245D+01
      3  -0.382808D+01 -0.136689D+01 -0.347507D+01  0.871544D+00 -0.131866D+01
               211           212           213           214           215 
      1  -0.160713D+01  0.482918D+01 -0.741975D+01  0.233611D+00 -0.513206D+01
      2   0.108665D+01  0.190122D+00 -0.955167D+00 -0.202839D+01 -0.737435D-01
      3   0.472400D+01 -0.831465D+00  0.944276D+00 -0.438317D+01  0.148788D+01
               216           217           218           219           220 
      1   0.765939D+01 -0.367328D+01 -0.309908D+01 -0.477319D+01 -0.228521D+01
      2   0.675121D+00  0.758364D-01 -0.325258D+00  0.788637D+00 -0.880360D+00
      3  -0.872559D-02  0.551099D+01  0.439252D+00  0.346681D+01  0.353645D+01
               221           222           223           224           225 
      1  -0.503509D+01 -0.657271D+01 -0.426959D+01 -0.566816D+01 -0.119781D+02
      2  -0.784816D+00  0.365283D+00 -0.232679D+01 -0.298650D+00 -0.999496D+00
      3   0.274821D+01  0.268254D+01  0.660860D+01  0.326360D+01  0.368386D+01
               226           227           228           229           230 
      1  -0.169654D+01  0.123744D+00 -0.213336D+01 -0.378662D+00 -0.842457D+00
      2   0.322938D+01  0.954823D+00  0.484244D+01  0.780789D+00  0.176443D+01
      3   0.227315D+01 -0.110625D+01  0.647951D+00 -0.474233D+00 -0.123316D+01
               231           232           233           234           235 
      1  -0.791376D+00 -0.273477D+01  0.209630D+01 -0.102905D+02  0.399885D+01
      2  -0.599292D+00  0.347062D+01  0.127770D+01  0.223571D+02 -0.516315D+01
      3  -0.132939D+01  0.112289D+01 -0.398021D+01  0.154505D+01  0.152515D+02
               236           237           238           239           240 
      1  -0.158021D+01 -0.238798D+01 -0.123546D+01  0.138041D+01  0.521036D+00
      2   0.106761D+01  0.812845D+01  0.128180D+01 -0.185849D+01 -0.307876D+01
      3  -0.727646D+01 -0.533027D+01 -0.624510D+01  0.290299D+01  0.333682D+01
               241           242           243           244           245 
      1  -0.298509D+01  0.211407D+01  0.151276D+01  0.484231D+00  0.155837D+00
      2   0.493342D+01 -0.817424D+00 -0.411659D+01 -0.140785D+01  0.258012D+00
      3  -0.623636D+01  0.485863D+01  0.408053D+01 -0.193292D+01  0.113691D+01
               246           247           248           249           250 
      1   0.194312D+00 -0.194204D+00 -0.319977D+00 -0.476804D+01 -0.774396D+00
      2   0.702546D+00  0.324211D+00 -0.432063D+01  0.412061D+01  0.456677D+00
      3  -0.893706D+00  0.151210D+00 -0.275405D+02  0.491185D+01 -0.831937D+00
               251           252 
      1  -0.419228D+00  0.597161D+00
      2   0.337296D+01 -0.762224D+00
      3   0.637591D+01 -0.281704D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.413279D+01  0.103669D+02 -0.115092D+02  0.723612D+01 -0.172079D+01
      2   0.314820D+01 -0.726080D+01  0.629291D+01 -0.497381D+01  0.399082D+01
      3   0.984582D+00 -0.310607D+01  0.521625D+01 -0.226231D+01 -0.227003D+01
      4   0.158197D+02 -0.423785D+01 -0.318586D+00 -0.931000D+01 -0.993236D+01
      5  -0.284479D+01 -0.540190D+01 -0.147567D+02 -0.710585D+01  0.553368D+01
      6  -0.327379D+00  0.744466D+01  0.841620D+01  0.771598D+01 -0.702283D+01
                 6             7             8             9            10 
      1   0.165526D+00 -0.150888D+02 -0.234999D+01 -0.136265D+02 -0.303229D+01
      2  -0.176101D+01  0.100696D+02  0.340294D+01  0.721329D+01 -0.130865D+01
      3   0.159548D+01  0.501928D+01 -0.105295D+01  0.641318D+01  0.434094D+01
      4   0.843354D+01 -0.176538D+01  0.122128D+02  0.201832D+02 -0.236066D+02
      5   0.796135D+01 -0.227074D+02  0.139539D+02  0.405409D+01 -0.531591D+01
      6  -0.659540D+01  0.148125D+02 -0.783314D+01 -0.742717D+01 -0.673033D+00
                11            12            13            14            15 
      1  -0.131912D+02 -0.408816D+01 -0.174119D+02 -0.905954D+01 -0.269328D+01
      2   0.208550D+01  0.113989D+01  0.667310D+01  0.102676D+02  0.113305D+01
      3   0.111057D+02  0.294826D+01  0.107388D+02 -0.120806D+01  0.156023D+01
      4  -0.131373D+02 -0.231976D+01 -0.119495D+02  0.126827D+02 -0.520544D+00
      5   0.223495D+01  0.430341D+01  0.107289D+01 -0.119501D+01 -0.339936D+01
      6  -0.291086D+01  0.208315D+00 -0.114071D+01 -0.610254D+00 -0.223012D+01
                16            17            18            19            20 
      1  -0.292242D+01 -0.391601D+01  0.207927D+02 -0.511433D+01 -0.525628D+01
      2   0.139416D+01 -0.329938D+01  0.191397D+01  0.418274D+01  0.249975D+00
      3   0.152826D+01  0.721538D+01 -0.227066D+02  0.931590D+00  0.500630D+01
      4  -0.452798D+01 -0.570580D+01 -0.171977D+01  0.462954D+00 -0.507354D+01
      5   0.138319D+02 -0.278111D+01  0.150119D+02 -0.342203D+01  0.109950D+01
      6   0.168299D+01  0.161720D+01  0.126482D+02 -0.278420D+01 -0.152086D+02
                21            22            23            24            25 
      1   0.110687D+02 -0.778748D+01  0.190641D+02 -0.566924D+01  0.169201D+02
      2  -0.165800D+02  0.467573D+01 -0.223588D+02  0.711821D+01 -0.191885D+02
      3   0.551131D+01  0.311175D+01  0.329474D+01 -0.144896D+01  0.226841D+01
      4  -0.181644D+01  0.262772D+01  0.479160D+01 -0.140281D+02 -0.421481D+01
      5  -0.203689D+01  0.130414D+01 -0.743622D+01  0.409061D+00  0.104539D+01
      6   0.136217D+01 -0.149047D+02  0.128156D+02 -0.167125D+02 -0.301117D+01
                26            27            28            29            30 
      1  -0.915574D+01  0.168226D+02 -0.524468D+01 -0.313345D+01 -0.142583D+01
      2   0.104286D+02 -0.228109D+02  0.444719D+01  0.125914D+02  0.940200D+01
      3  -0.127284D+01  0.598830D+01  0.797491D+00 -0.945793D+01 -0.797617D+01
      4  -0.142903D+02 -0.343314D+01 -0.149600D+02 -0.141640D+02  0.140047D+02
      5  -0.739332D+00 -0.405490D+01  0.114210D+02  0.123064D+02 -0.117128D+02
      6  -0.273011D+02  0.173614D+01  0.899077D+01  0.125177D+02 -0.131501D+02
                31            32            33            34            35 
      1   0.198491D+01 -0.673530D+01  0.743711D+01 -0.331149D+01  0.141169D+02
      2   0.444919D+01  0.126430D+02 -0.479607D+01  0.781225D+01 -0.615739D+01
      3  -0.643409D+01 -0.590772D+01 -0.264104D+01 -0.450075D+01 -0.795948D+01
      4  -0.147580D+02 -0.683122D+01  0.614616D+01  0.205993D+02  0.581996D+01
      5   0.863145D+01  0.243322D+01 -0.278163D+01 -0.994058D+01 -0.319456D+01
      6   0.827325D+01  0.271876D+01 -0.758316D+01 -0.961802D+01  0.453883D-01
                36            37            38            39            40 
      1  -0.622101D+01  0.609474D+01  0.178651D+02  0.149547D+02  0.196046D+02
      2   0.895955D+01 -0.118695D+02 -0.120958D+02 -0.644050D+01 -0.100972D+02
      3  -0.273854D+01  0.577474D+01 -0.576929D+01 -0.851423D+01 -0.950745D+01
      4  -0.115061D+00  0.170256D+02  0.201257D-01 -0.106916D+02  0.257356D+01
      5  -0.997851D+00  0.165813D+02 -0.480079D+01  0.812652D+01 -0.224767D+01
      6   0.292103D+00 -0.209581D+01  0.793918D+00  0.358886D+01  0.450185D+01
                41            42            43            44            45 
      1  -0.312448D+01 -0.937418D+00  0.167365D+02 -0.453014D+01  0.624960D+01
      2   0.987236D+00  0.623736D+01 -0.824157D+01  0.287932D+01 -0.243645D+00
      3   0.213725D+01 -0.529994D+01 -0.849495D+01  0.165081D+01 -0.600595D+01
      4  -0.506053D+01  0.111371D+02 -0.138056D+02  0.101327D+02 -0.125095D+02
      5   0.130843D+02 -0.781918D+01  0.427827D+01 -0.108281D+02 -0.639447D+01
      6  -0.117356D+01  0.858317D+01 -0.296127D+01 -0.171914D+00 -0.307566D+01
                46            47            48            49            50 
      1  -0.948630D+01 -0.109640D+00 -0.389611D+01  0.156034D+00  0.259051D+02
      2   0.600352D+01  0.543360D+01  0.483059D+01  0.106364D+01 -0.407358D+02
      3   0.348278D+01 -0.532396D+01 -0.934475D+00 -0.121967D+01  0.148307D+02
      4   0.411424D+01  0.190323D+01  0.256403D+01  0.399756D+01  0.191993D+01
      5  -0.699466D+01 -0.436209D+01 -0.459192D+01 -0.575468D+01 -0.802179D+01
      6  -0.215580D+00  0.110871D+01 -0.528194D+01 -0.367233D+01 -0.336012D+01
                51            52            53            54            55 
      1  -0.837428D+01 -0.146906D+01 -0.214276D+01  0.826485D+00  0.617574D+01
      2  -0.688588D+00  0.460987D+01 -0.928591D+00  0.930425D+01  0.882497D+01
      3   0.906287D+01 -0.314081D+01  0.307136D+01 -0.101307D+02 -0.150007D+02
      4  -0.477866D+01  0.578055D+01  0.188082D+01  0.183961D+01  0.171552D+01
      5   0.108987D+01 -0.219364D+01  0.193802D+01 -0.199381D+01 -0.618347D+01
      6  -0.244725D+00  0.307517D+00  0.438841D+01 -0.223168D+01  0.970110D+00
                56            57            58            59            60 
      1  -0.730459D+01  0.583719D-01 -0.754993D+01 -0.523862D+01  0.736175D+01
      2  -0.967843D+01 -0.283286D+00 -0.783580D+01 -0.135053D+01  0.536790D+01
      3   0.169830D+02  0.224914D+00  0.153857D+02  0.658915D+01 -0.127297D+02
      4  -0.150055D+01 -0.199056D+01 -0.133696D+01  0.156164D+01  0.388727D+01
      5   0.156845D+01 -0.147748D+02  0.333520D+01  0.761982D+01  0.104410D+02
      6   0.421114D+01  0.166055D+02  0.814688D+01  0.108509D+01  0.213173D+01
                61            62            63            64            65 
      1  -0.297956D+01  0.735479D+00 -0.217259D+01  0.107199D+02 -0.478624D+01
      2  -0.159517D+01  0.912415D+01 -0.130318D+01 -0.567013D+01  0.887215D+00
      3   0.457473D+01 -0.985962D+01  0.347577D+01 -0.504980D+01  0.389903D+01
      4  -0.696459D+01 -0.496821D+00  0.465942D+01 -0.151082D+02  0.121352D+02
      5  -0.942612D+01  0.840603D+01  0.182413D+01 -0.123029D+02  0.680015D+01
      6   0.118601D+02 -0.118717D+01 -0.711534D+01  0.767620D+01 -0.645133D+01
                66            67            68            69            70 
      1  -0.405934D+01 -0.238895D+01 -0.361430D+01 -0.190883D+01 -0.613187D+01
      2   0.277888D+01 -0.140930D+01  0.842912D+01  0.299407D+01  0.524831D+01
      3   0.128046D+01  0.379824D+01 -0.481482D+01 -0.108523D+01  0.883561D+00
      4   0.863978D+01  0.141663D+02 -0.133917D+02 -0.111010D+02  0.143731D+02
      5   0.130091D+02  0.665553D+01 -0.918154D+01 -0.805168D+01  0.186919D+02
      6  -0.707609D+01 -0.772962D+01  0.109348D+02  0.107636D+02 -0.126005D+02
                71            72            73            74            75 
      1  -0.175034D+01  0.196027D+00 -0.221286D+02  0.194346D+02  0.207235D+02
      2   0.209049D+01 -0.638951D+01  0.236020D+02 -0.575174D+01 -0.126568D+02
      3  -0.340149D+00  0.619348D+01 -0.147342D+01 -0.136829D+02 -0.806670D+01
      4  -0.155017D+02 -0.162661D+02  0.250490D+02  0.170187D+02  0.707365D-01
      5  -0.120913D+02 -0.207676D+02  0.250457D+02 -0.477690D+01 -0.164214D+02
      6   0.140014D+02  0.181515D+02  0.472730D+01 -0.343538D+00 -0.406105D+01
                76            77            78            79            80 
      1   0.337812D+02  0.231008D+02 -0.954210D+01  0.246804D+02 -0.612132D+01
      2  -0.193744D+02 -0.325316D+02  0.116542D+02 -0.121484D+02  0.107844D+02
      3  -0.144068D+02  0.943079D+01 -0.211212D+01 -0.125320D+02 -0.466308D+01
      4   0.112505D+02 -0.281983D+02  0.991804D+01  0.383998D+01  0.112021D+02
      5  -0.624641D+01  0.113658D+02  0.417585D+01 -0.244028D+02 -0.306561D+00
      6   0.650896D+00  0.133940D+02 -0.923286D+00 -0.721856D+01 -0.209653D+01
                81            82            83            84            85 
      1  -0.183018D+02 -0.310379D+00  0.223989D+01 -0.183791D+01  0.212600D+01
      2   0.127197D+02 -0.336669D+01 -0.550465D+00  0.417933D+00 -0.655593D+00
      3   0.558215D+01  0.367707D+01 -0.168943D+01  0.141997D+01 -0.147041D+01
      4  -0.396162D+01  0.204739D+01  0.318941D+01 -0.837497D+00  0.448746D+01
      5  -0.277315D+02  0.476995D+00 -0.512380D+00  0.599439D+01 -0.285711D+00
      6  -0.136791D+02 -0.104562D+01  0.634851D+00 -0.477714D+00  0.587044D+00
                86            87            88            89            90 
      1  -0.355583D+01  0.319013D+01 -0.515341D+01  0.312473D+01 -0.209131D+02
      2   0.945460D+00 -0.889660D+00  0.117214D+01  0.162606D+01 -0.132047D+02
      3   0.261037D+01 -0.230047D+01  0.398127D+01 -0.475080D+01  0.341178D+02
      4   0.814732D+00 -0.233716D+01 -0.286767D+01 -0.428443D+01  0.209762D+01
      5  -0.194684D+01  0.269026D+01  0.402300D+01  0.356033D+01 -0.183062D+02
      6  -0.360414D+01  0.820011D+01  0.260152D+00  0.615027D+01 -0.122071D+02
                91            92            93            94            95 
      1   0.156644D+02  0.427549D+01 -0.257875D+01  0.369061D+00 -0.389284D+01
      2  -0.846368D+01  0.224234D+00  0.276757D+01  0.300053D+01  0.982553D+01
      3  -0.720068D+01 -0.449972D+01 -0.188819D+00 -0.336959D+01 -0.593269D+01
      4   0.242811D+02  0.192283D+02 -0.123442D+02  0.163858D+02  0.169018D+02
      5  -0.204648D+02 -0.125920D+02  0.161772D+02 -0.927146D+01 -0.993890D+01
      6  -0.129701D+02 -0.117200D+02  0.103860D+02 -0.102302D+02 -0.138578D+02
                96            97            98            99           100 
      1   0.197548D+01 -0.103036D+01  0.171546D+01 -0.255066D+01 -0.335816D+01
      2  -0.173226D+01  0.236245D+01  0.172826D+00 -0.540513D+01  0.519623D+01
      3  -0.243221D+00 -0.133210D+01 -0.188829D+01  0.795578D+01 -0.183807D+01
      4  -0.929163D+01 -0.103430D+02 -0.865885D+01  0.976626D+01 -0.206923D+02
      5   0.680739D+01  0.142279D+02  0.918207D+01 -0.119801D+02 -0.176549D+02
      6   0.105183D+02  0.996729D+01  0.105368D+02 -0.120621D+02 -0.174718D+02
               101           102           103           104           105 
      1  -0.209199D+02 -0.155366D+02 -0.247455D+02  0.287135D+01 -0.890968D+01
      2   0.487345D+01  0.310559D+01  0.605698D+01  0.942774D+01 -0.713006D+01
      3   0.160464D+02  0.124310D+02  0.186885D+02 -0.122991D+02  0.160397D+02
      4  -0.853087D+01 -0.194023D+01 -0.119066D+02  0.256117D+01 -0.159786D+02
      5  -0.119869D+02 -0.799850D+01 -0.124524D+02 -0.172833D+02  0.108303D+02
      6  -0.698727D+01  0.277008D+01 -0.105917D+02  0.725747D+01 -0.213714D+02
               106           107           108           109           110 
      1  -0.116438D+02 -0.394599D+01 -0.260972D+01 -0.245450D+02 -0.317756D+02
      2   0.248126D+01 -0.726719D+01 -0.611718D+01  0.180991D+02  0.188926D+02
      3   0.916251D+01  0.112132D+02  0.872690D+01  0.644589D+01  0.128831D+02
      4   0.273382D+01 -0.103168D+02  0.115734D+02 -0.302777D+02 -0.190297D+01
      5  -0.738924D+01  0.121642D+02  0.738529D+01 -0.115858D+02  0.829925D+01
      6   0.774741D+01 -0.145207D+02  0.148558D+02  0.659905D+01 -0.312325D+01
               111           112           113           114           115 
      1  -0.111112D+02 -0.418131D+02 -0.340607D+01  0.245295D+01 -0.120748D+02
      2   0.216613D+01  0.267364D+02 -0.805964D+01  0.661151D+01  0.135307D+01
      3   0.894503D+01  0.150768D+02  0.114657D+02 -0.906447D+01  0.107217D+02
      4   0.905022D+01 -0.110045D+02  0.182307D+02 -0.161724D+02  0.113690D+02
      5   0.129146D+01  0.988046D+01 -0.146506D+02  0.155362D+02 -0.293850D+01
      6   0.345731D+00 -0.496791D+01  0.962880D+01 -0.929516D+01  0.398650D+01
               116           117           118           119           120 
      1   0.219956D+01  0.628261D+01 -0.109426D+00  0.197165D+01 -0.367007D+00
      2   0.887670D+01 -0.698456D+01  0.395636D+01 -0.295954D+01 -0.611307D+00
      3  -0.110763D+02  0.701945D+00 -0.384693D+01  0.987888D+00  0.978314D+00
      4  -0.175402D+02  0.173914D+02 -0.146483D+00  0.108314D+02 -0.106419D+01
      5   0.184100D+02  0.220264D+02  0.557628D+00  0.358936D+00  0.323248D+01
      6  -0.833460D+01 -0.898895D+01  0.134724D+00 -0.432157D+00 -0.160988D-01
               121           122           123           124           125 
      1   0.573275D+00 -0.308324D+02 -0.382526D+00 -0.629250D+00  0.348936D+00
      2   0.132495D+01  0.563026D+02 -0.643372D+00 -0.102797D+01 -0.193567D+01
      3  -0.189822D+01 -0.254702D+02  0.102590D+01  0.165722D+01  0.158674D+01
      4   0.838910D+01  0.136781D+01  0.304304D+00 -0.190731D+01 -0.701441D+00
      5   0.231959D+00  0.133493D+01  0.302622D+00  0.232609D+01  0.109902D+00
      6   0.444788D+00  0.528974D+01  0.696721D+01  0.799290D+00  0.854107D+01
               126           127           128           129           130 
      1  -0.430784D+01 -0.151646D+00  0.185375D+01  0.725879D+01  0.245341D+01
      2   0.368822D+01 -0.741595D+01  0.351759D+01  0.815157D+01  0.168980D+01
      3   0.619618D+00  0.756759D+01 -0.537134D+01 -0.154104D+02 -0.414321D+01
      4   0.295037D+00 -0.490281D+01  0.368691D+01  0.357801D+01  0.419121D+01
      5   0.141251D+01 -0.864735D+01  0.433718D+01  0.127050D+02  0.413050D+01
      6   0.570171D+00  0.533439D+01 -0.606046D+01 -0.804034D+01 -0.586437D+01
               131           132           133           134           135 
      1  -0.631049D+01 -0.966453D+01  0.431690D+01 -0.672872D+01 -0.176867D+02
      2  -0.418723D-01 -0.372685D+01  0.547428D+01 -0.452733D+01 -0.161401D+02
      3   0.635236D+01  0.133914D+02 -0.979117D+01  0.112561D+02  0.338268D+02
      4  -0.368244D+01 -0.347951D+01  0.315442D+01 -0.282652D+01 -0.462282D+01
      5  -0.502613D+01 -0.538916D+01  0.106246D+02 -0.526372D+01 -0.125881D+02
      6   0.112406D+02  0.134380D+02 -0.628476D+01  0.101812D+02  0.155743D+02
               136           137           138           139           140 
      1   0.138615D+01  0.177774D+01 -0.654396D+01  0.189635D+01 -0.175877D+01
      2  -0.110472D+02  0.150074D+01 -0.115909D+02  0.240685D+01  0.690272D+00
      3   0.966107D+01 -0.327848D+01  0.181348D+02 -0.430321D+01  0.106849D+01
      4   0.877796D+00  0.390172D+01 -0.259777D+00  0.367953D+01 -0.636544D+00
      5   0.192011D+02 -0.217503D+01  0.178592D+02 -0.395140D+01  0.237378D+01
      6  -0.263856D+01  0.411164D+01 -0.368984D+01  0.296589D+01 -0.391790D+01
               141           142           143           144           145 
      1   0.229724D+01 -0.233875D+01  0.803049D+00 -0.900310D+01 -0.786455D+01
      2   0.167297D+01 -0.819736D+01 -0.296023D+00 -0.125099D+02  0.160337D+01
      3  -0.397021D+01  0.105361D+02 -0.507027D+00  0.215131D+02  0.626118D+01
      4   0.113242D+01  0.285925D+00  0.158954D+01 -0.648718D+00  0.231112D+01
      5  -0.430987D+01  0.142441D+02 -0.223331D+01  0.146225D+02 -0.857715D+01
      6   0.590540D+01 -0.267321D+01  0.469230D+01 -0.181560D+01  0.670896D+01
               146           147           148           149           150 
      1   0.858664D+01  0.111337D+02  0.896806D+01 -0.861054D+01 -0.654489D+01
      2  -0.244712D+01  0.330141D+01 -0.352484D+01  0.331587D+01 -0.820913D+00
      3  -0.613952D+01 -0.144351D+02 -0.544322D+01  0.529467D+01  0.736580D+01
      4   0.418958D+00 -0.900157D+00  0.253970D+01  0.943746D+00  0.310860D+01
      5   0.404498D+01  0.187678D+01  0.582254D+01 -0.456723D+00 -0.828504D+00
      6  -0.584881D+01 -0.606100D+01 -0.368565D+01  0.699023D+01  0.946374D+01
               151           152           153           154           155 
      1   0.716540D+01 -0.593697D+01 -0.111491D+02  0.286947D+02  0.103625D+02
      2   0.129830D+01  0.664542D+00 -0.291945D+01 -0.167251D+02 -0.355757D+01
      3  -0.846370D+01  0.527242D+01  0.140685D+02 -0.119695D+02 -0.680493D+01
      4  -0.399697D+00  0.137463D+01  0.103317D-01  0.196785D+02  0.150134D+02
      5   0.580068D+01 -0.245504D+01 -0.277981D+01  0.288641D+02  0.130345D+02
      6  -0.535343D+01  0.822354D+01  0.586009D+01  0.126477D+02  0.102862D+02
               156           157           158           159           160 
      1   0.655063D+01  0.124373D+02  0.422796D+01  0.171147D+01  0.209876D+00
      2  -0.916548D+01 -0.458613D+01  0.238039D+00 -0.294930D+01 -0.386667D+01
      3   0.261485D+01 -0.785120D+01 -0.446599D+01  0.123783D+01  0.365679D+01
      4   0.751831D+01  0.169960D+02  0.146745D+02  0.839042D+01  0.197633D+01
      5   0.187472D+02  0.155444D+02  0.118891D+02  0.918938D+01  0.103168D+02
      6   0.621502D+01  0.107320D+02  0.993895D+01  0.959995D+01  0.367579D+01
               161           162           163           164           165 
      1  -0.155972D+00  0.112913D+01  0.190625D+01 -0.366897D+00  0.336222D+01
      2  -0.106659D+01 -0.430008D+01 -0.358082D+01  0.197768D+01 -0.435024D+01
      3   0.122257D+01  0.317095D+01  0.167457D+01 -0.161078D+01  0.988018D+00
      4   0.287851D+01  0.329336D+01 -0.178802D+01  0.560586D+01 -0.299223D+01
      5   0.415729D+01  0.750534D+01  0.770154D+01 -0.351242D+01  0.941727D+01
      6   0.564179D+01  0.274947D+01 -0.235503D+01  0.305430D+01 -0.251836D+01
               166           167           168           169           170 
      1  -0.133745D-01 -0.828630D+01  0.110433D+02  0.999603D+00  0.645930D+01
      2   0.331117D+01 -0.485781D+00  0.832708D+01 -0.489133D+01  0.547432D+01
      3  -0.329780D+01  0.877208D+01 -0.193703D+02  0.389173D+01 -0.119336D+02
      4   0.807067D+01 -0.136106D+02  0.111764D+02 -0.324563D+01  0.699700D+01
      5  -0.895521D+01  0.116462D+02 -0.164078D+02  0.949660D+01 -0.849398D+01
      6   0.694372D+01 -0.218746D+02  0.209835D+02 -0.398875D+01  0.145798D+02
               171           172           173           174           175 
      1  -0.123198D+02  0.264397D+01  0.121983D+01 -0.339861D+01  0.193594D+01
      2  -0.120467D+02 -0.336326D+01  0.462643D-01  0.296106D+01 -0.204739D+01
      3   0.243665D+02  0.719295D+00 -0.126609D+01  0.437553D+00  0.111445D+00
      4  -0.804465D+01  0.907413D+00  0.173432D+01  0.276396D+01  0.581584D+01
      5   0.157074D+02 -0.337403D+01  0.140352D+01  0.573811D+01  0.227112D+01
      6  -0.161010D+02  0.187842D+01 -0.367250D+00 -0.153501D+01 -0.160656D+01
               176           177           178           179           180 
      1  -0.185795D+01 -0.295397D+01 -0.953888D+01 -0.174651D+01 -0.668322D+01
      2   0.366497D+01  0.157766D+01  0.565394D+01  0.149864D+01 -0.485273D+01
      3  -0.180702D+01  0.137631D+01  0.388495D+01  0.247866D+00  0.115359D+02
      4  -0.844111D+01 -0.551683D+01  0.758164D+01 -0.901427D+01 -0.118375D+02
      5  -0.541657D+01 -0.102749D+02  0.124378D+02 -0.126415D+02 -0.344988D+02
      6   0.519006D+01  0.983167D+01 -0.443594D+01  0.101209D+02  0.174308D+02
               181           182           183           184           185 
      1   0.996159D+01 -0.421700D+01  0.381243D+01 -0.547159D+01 -0.273977D+01
      2  -0.236813D+01 -0.556413D+00 -0.689445D+00 -0.584367D+01  0.237033D+02
      3  -0.759346D+01  0.477341D+01 -0.312299D+01  0.113153D+02 -0.209635D+02
      4  -0.756391D+01  0.117129D+02 -0.520938D+01  0.228972D+02 -0.387106D+02
      5   0.420612D+01 -0.405782D+01  0.384117D+01 -0.621861D+01  0.123554D+02
      6  -0.301104D+01  0.133384D+01 -0.741204D+00  0.405794D+01 -0.100946D+02
               186           187           188           189           190 
      1   0.160228D+01  0.870724D+01  0.842550D+00 -0.180577D+01  0.708776D+02
      2  -0.731366D+01 -0.107855D+01 -0.903677D+01  0.321782D+01 -0.386503D+02
      3   0.571139D+01 -0.762869D+01  0.819422D+01 -0.141205D+01 -0.322273D+02
      4   0.132355D+02 -0.128631D+02  0.191193D+02 -0.121800D+02  0.800583D+01
      5  -0.121903D+02  0.814641D+01 -0.123657D+02  0.980374D+01 -0.993497D+00
      6   0.934126D+01 -0.498515D+01  0.999717D+01 -0.799669D+01 -0.149896D+01
               191           192           193           194           195 
      1   0.170150D+02  0.196478D+01  0.370208D+02  0.125068D+02  0.518331D+00
      2  -0.110705D+02 -0.941375D+00 -0.205332D+02 -0.511393D+01 -0.853416D+00
      3  -0.594448D+01 -0.102340D+01 -0.164876D+02 -0.739286D+01  0.335085D+00
      4   0.117289D+02  0.149602D+00  0.142143D+02  0.103497D+02  0.215832D+01
      5  -0.499730D+00  0.858799D+01 -0.191852D+01  0.134766D+01  0.478802D+01
      6  -0.809551D+00 -0.104945D+01 -0.790511D+00 -0.170596D+01  0.163979D+01
               196           197           198           199           200 
      1   0.656395D+01  0.516860D+00  0.571184D+01  0.249572D+02 -0.412485D+01
      2  -0.298369D+01 -0.166587D+01 -0.373152D+01 -0.129343D+02  0.274920D+00
      3  -0.358025D+01  0.114901D+01 -0.198032D+01 -0.120228D+02  0.384993D+01
      4  -0.708929D+00  0.309405D+01  0.114572D+00 -0.152974D+02  0.100408D+02
      5   0.103960D+02  0.975777D+00 -0.267950D-01  0.134300D+02 -0.246902D+01
      6  -0.389528D+00  0.211443D+01  0.958389D+00 -0.501037D+01  0.703266D+00
               201           202           203           204           205 
      1   0.106748D+02 -0.599819D+00  0.240688D+01  0.585177D+00  0.168828D+02
      2  -0.590429D+01 -0.126465D+01 -0.585705D+00 -0.808847D+00 -0.101007D+02
      3  -0.477047D+01  0.186447D+01 -0.182117D+01  0.223670D+00 -0.678208D+01
      4  -0.641951D+01  0.791316D+01 -0.333694D+01  0.328591D+01 -0.101612D+02
      5   0.115747D+02 -0.486922D+00  0.325258D+01 -0.216890D+01  0.142093D+02
      6  -0.445142D+01  0.186727D+01 -0.131970D+01  0.380125D+01 -0.667630D+01
               206           207           208           209           210 
      1  -0.120812D+00  0.783133D+01 -0.144650D+01  0.502792D+01 -0.303458D+01
      2  -0.208777D+01 -0.682544D+01  0.527493D+01 -0.923025D+01  0.426864D+01
      3   0.220859D+01 -0.100589D+01 -0.382844D+01  0.420233D+01 -0.123405D+01
      4   0.716160D+01 -0.986782D+01 -0.704549D+01  0.131924D+02 -0.504912D+01
      5  -0.553847D+01  0.132097D+02  0.236294D+01 -0.405163D+01  0.451006D+01
      6   0.383676D+01 -0.603306D+01 -0.528985D+01  0.745756D+01 -0.388050D+01
               211           212           213           214           215 
      1   0.379231D+01 -0.315447D+02  0.131162D+02 -0.411693D+01  0.211767D+02
      2  -0.739820D+01  0.480558D+02 -0.170743D+02  0.589109D+01 -0.258841D+02
      3   0.360589D+01 -0.165111D+02  0.395810D+01 -0.177415D+01  0.470736D+01
      4   0.847561D+01 -0.125058D+02  0.618816D+01 -0.492930D+01  0.898641D+01
      5  -0.227181D+01  0.508147D+01 -0.273199D+01  0.379475D+01 -0.502493D+01
      6   0.577338D+01 -0.263018D+02  0.180530D+02 -0.444482D+01  0.267643D+02
               216           217           218           219           220 
      1  -0.162844D+02 -0.111751D+01 -0.516562D+01 -0.329111D+01 -0.322102D+01
      2   0.139810D+02  0.346798D+01  0.111205D+02  0.550360D+01  0.648383D+01
      3   0.230334D+01 -0.235047D+01 -0.595492D+01 -0.221249D+01 -0.326281D+01
      4  -0.497808D+01  0.791455D+01  0.882403D+01  0.535764D+01  0.601986D+01
      5   0.454526D+01  0.307026D+01  0.206738D+01  0.388997D+01  0.133785D+01
      6  -0.207332D+02  0.587201D+01  0.609771D+01  0.480100D+01  0.537207D+01
               221           222           223           224           225 
      1  -0.166757D+02 -0.692130D+01 -0.625634D+01 -0.127433D+02 -0.121200D+02
      2   0.258304D+02  0.101210D+02  0.589158D+01  0.178465D+02  0.118182D+02
      3  -0.915469D+01 -0.319967D+01  0.364756D+00 -0.510324D+01  0.301815D+00
      4   0.686853D+01  0.442428D+01  0.645687D+01  0.555778D+01  0.500698D+01
      5   0.235831D+01  0.119223D+01  0.362185D+01  0.174771D+01  0.297243D+01
      6   0.116346D+02  0.131528D+02  0.639949D+01  0.183769D+02  0.172678D+02
               226           227           228           229           230 
      1   0.105108D+02 -0.622379D+00  0.503117D+01 -0.547111D+01 -0.224426D+01
      2  -0.808914D+01  0.351258D+00 -0.365811D+01  0.380418D+01  0.334028D+01
      3  -0.242164D+01  0.271122D+00 -0.137306D+01  0.166693D+01 -0.109601D+01
      4   0.178173D+01  0.132277D+01  0.286693D+01  0.217750D+01  0.374560D+01
      5   0.592642D+01  0.151397D+01  0.126467D+02  0.535565D+00  0.314787D+01
      6   0.235557D+01  0.593523D+00  0.376906D+01  0.115913D+01  0.517921D+00
               231           232           233           234           235 
      1  -0.159755D+00  0.136046D+02  0.155236D+01  0.590236D+01  0.703146D+02
      2   0.969096D+00 -0.823683D+01  0.122120D+01 -0.117873D+02 -0.407809D+02
      3  -0.809342D+00 -0.536772D+01 -0.277356D+01  0.588491D+01 -0.295337D+02
      4   0.370549D+01  0.920553D+01  0.937137D+01  0.589404D+01  0.729137D+01
      5  -0.156396D+00  0.185072D+02  0.412291D+01  0.387708D+02 -0.272532D+02
      6   0.393710D+01  0.626466D+01  0.512119D+01  0.172860D+02 -0.446613D+01
               236           237           238           239           240 
      1  -0.675079D+01 -0.198016D+02 -0.232812D+02  0.515953D+01  0.624360D+01
      2   0.591062D+01  0.134871D+02  0.144398D+02 -0.152520D+01 -0.553978D+01
      3   0.840173D+00  0.631458D+01  0.884148D+01 -0.363433D+01 -0.703819D+00
      4   0.909235D+01 -0.142032D+01  0.637812D+01 -0.274343D+01 -0.403164D+01
      5   0.249076D+01  0.184654D+02  0.862280D+01 -0.507182D+01 -0.670598D+01
      6  -0.690074D+00  0.414494D+01 -0.499294D+00 -0.289100D+00  0.635864D+00
               241           242           243           244           245 
      1  -0.274023D+02  0.246102D+01  0.136929D+02  0.207920D+01  0.578978D+01
      2   0.185241D+02 -0.395744D+01 -0.127101D+02  0.854832D+00 -0.481007D+01
      3   0.887818D+01  0.149642D+01 -0.982747D+00 -0.293403D+01 -0.979706D+00
      4  -0.404475D+01 -0.713117D+01  0.123176D+01  0.215178D+01  0.418862D+01
      5   0.236370D+02 -0.165908D+01 -0.138121D+02 -0.256080D+01 -0.450431D+00
      6   0.429067D+01  0.232183D+01 -0.146575D+01 -0.204165D+01  0.604091D+00
               246           247           248           249           250 
      1  -0.322084D+01  0.538852D+01 -0.215294D+02  0.502070D+01 -0.514568D+01
      2   0.185040D+01  0.349029D+01  0.461219D+02 -0.717477D+01  0.187387D+01
      3   0.137044D+01 -0.887881D+01 -0.245926D+02  0.215407D+01  0.327181D+01
      4  -0.107940D+01  0.174773D+02  0.497143D+02 -0.872621D+01 -0.460767D+01
      5   0.197733D+01 -0.220974D+01 -0.919866D+01  0.780217D+01  0.579929D+01
      6  -0.582760D+00 -0.283893D+01 -0.135932D+02  0.968697D+01  0.263363D+01
               251           252 
      1   0.535103D+01 -0.213457D+01
      2  -0.792124D+01  0.301382D+01
      3   0.257021D+01 -0.879251D+00
      4  -0.109101D+02  0.682770D+01
      5   0.693527D+01 -0.224982D+01
      6   0.104358D+02 -0.453732D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.435381D-03      0.110663D-02      0.369132D-02
   y          0.345650D-01      0.878556D-01      0.293055D+00
   z          0.394025D-01      0.100151D+00      0.334068D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122105D+03      0.180941D+02      0.201325D+02
   yx        -0.124918D+00     -0.185110D-01     -0.205963D-01
   yy         0.109055D+03      0.161603D+02      0.179807D+02
   zx         0.628410D+00      0.931207D-01      0.103611D+00
   zy        -0.115230D+00     -0.170753D-01     -0.189988D-01
   zz         0.105096D+03      0.155736D+02      0.173280D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119460D+03      0.177022D+02      0.196963D+02
   aniso      0.170051D+02      0.251990D+01      0.280377D+01
   xx         0.130458D+03      0.193320D+02      0.215097D+02
   yx         0.466675D-01      0.691542D-02      0.769444D-02
   yy         0.116243D+03      0.172255D+02      0.191659D+02
   zx         0.669666D+00      0.992343D-01      0.110413D+00
   zy        -0.890554D-01     -0.131967D-01     -0.146833D-01
   zz         0.111678D+03      0.165490D+02      0.184133D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.89938988          1.25505079          1.68977102
     6         -2.50302057         -1.25045656          0.21936361
     6         -0.48334272          2.86832662          2.03732938
     6          1.46379954          2.29146733         -0.01757844
     6          2.27887973         -0.54602714          0.07366511
     6         -0.17429523         -1.04637655         -1.49381017
     6          0.06446545          1.68920227         -2.52153335
     1         -3.78062086          0.86848788          3.51469629
     6         -4.86966676         -1.93446403         -1.28353076
     1         -2.16412252         -2.78110531          1.56444834
     1          2.97867149          3.69261183         -0.05096073
     6          2.59485097         -1.82374096          2.63327704
     6          4.66470237         -1.03383009         -1.48144267
     1         -0.10638463         -2.60546485         -2.84659226
     1          1.27572488          1.82127731         -4.17417637
     1         -1.67623718          2.72101427         -2.90575484
     1          0.98969729         -1.56434635          3.89105677
     1          4.26551797         -1.08393344          3.59769423
     1          2.87207004         -3.85669751          2.39119106
     1          4.59040970         -0.17719510         -3.35158912
     1          4.95723845         -3.06303116         -1.73351168
     1          6.32406432         -0.27738274         -0.51141232
     1         -4.27339435          2.37886122          0.63771247
     1         -0.99471972          4.86790299          1.96088672
     1          0.35849874          2.56171428          3.89581953
     1         -5.23613029         -0.53547761         -2.75884273
     1         -6.53218524         -2.00550346         -0.06142526
     1         -4.67000305         -3.77666064         -2.19231831

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524165D-01      0.133229D+00      0.444406D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122094D+03      0.180925D+02      0.201306D+02
   yx        -0.570272D+00     -0.845056D-01     -0.940252D-01
   yy         0.107451D+03      0.159226D+02      0.177163D+02
   zx         0.523973D+00      0.776448D-01      0.863915D-01
   zy         0.194152D+01      0.287703D+00      0.320113D+00
   zz         0.106711D+03      0.158129D+02      0.175943D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119460D+03      0.177022D+02      0.196963D+02
   aniso      0.170051D+02      0.251990D+01      0.280377D+01
   xx         0.130446D+03      0.193300D+02      0.215076D+02
   yx        -0.475559D+00     -0.704706D-01     -0.784091D-01
   yy         0.114349D+03      0.169448D+02      0.188536D+02
   zx         0.681376D+00      0.100969D+00      0.112344D+00
   zy         0.224578D+01      0.332790D+00      0.370279D+00
   zz         0.113585D+03      0.168316D+02      0.187277D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-32\Freq\RB3LYP\Gen\C10H18\PIERPA\09-Jul-2021\0\\#P B3
 LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,M
 axCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculatio
 ns.\\0,1\C,-1.52888,1.093729,0.246966\C,-1.321456,-0.416759,0.534617\C
 ,-0.251555,1.852797,-0.188359\C,0.77071,0.903021,-0.813047\C,1.207111,
 -0.195282,0.209826\C,-0.097064,-0.937248,-0.228322\C,0.020234,-0.20802
 2,-1.592788\H,-1.986528,1.578225,1.111675\C,-2.579256,-1.209394,0.1858
 67\H,-1.133681,-0.556858,1.602321\H,1.569849,1.44626,-1.321922\C,1.387
 674,0.189094,1.672498\C,2.463556,-0.935948,-0.24905\H,-0.064495,-2.029
 648,-0.222695\H,0.653697,-0.734184,-2.30161\H,-0.904266,0.071251,-2.09
 8034\H,0.543396,0.73385,2.089372\H,2.274733,0.817174,1.790633\H,1.5366
 66,-0.70458,2.284391\H,2.414606,-1.247642,-1.291582\H,2.620603,-1.8316
 37,0.357494\H,3.34463,-0.299271,-0.134439\H,-2.262427,1.175948,-0.5576
 56\H,-0.525798,2.622427,-0.914283\H,0.202587,2.37796,0.654229\H,-2.781
 972,-1.16707,-0.887575\H,-3.453499,-0.808443,0.704109\H,-2.474549,-2.2
 59702,0.466325\\Version=ES64L-G16RevA.03\State=1-A\HF=-392.0750896\RMS
 D=7.830e-09\RMSF=1.768e-05\ZeroPoint=0.2598454\Thermal=0.2698432\Dipol
 e=0.0004354,0.034565,0.0394025\DipoleDeriv=0.0621389,-0.0480314,-0.008
 6812,-0.0270846,0.0087065,0.0438792,0.0309435,0.0131455,0.1326729,0.10
 02899,0.068393,0.0096211,0.0120151,0.0752038,-0.0041057,-0.0214302,-0.
 0154139,0.1190769,0.0635542,0.0048434,0.0605302,0.0213047,0.0891068,-0
 .0233257,0.0258531,0.0098315,0.1326024,0.1361011,0.0502327,-0.0764692,
 0.121479,0.0945407,-0.0775996,-0.0852411,-0.0512234,0.0330393,0.055325
 4,-0.0524219,0.046391,-0.0457669,-0.0197491,0.0613145,0.0231614,0.0814
 758,0.180912,-0.0171999,0.0219805,0.0002224,-0.0580864,0.2243935,-0.01
 58789,-0.0178776,-0.0336755,-0.0074754,0.1169342,-0.0896632,0.0032003,
 -0.0678536,-0.0410662,0.031373,0.0618668,-0.0052536,-0.0064187,-0.0179
 352,0.0371103,0.0682091,0.0429066,-0.0187184,-0.0529955,0.1246075,-0.0
 916194,-0.0764153,0.0180221,-0.0505197,-0.0283578,-0.0391087,0.0826803
 ,-0.0161543,-0.0007129,-0.0079709,0.1097941,-0.0021211,-0.0013366,-0.0
 296911,0.0194166,-0.0097166,0.0112598,-0.0177931,0.0397916,-0.1687505,
 -0.1314663,-0.1109537,0.0908731,-0.0692791,-0.0630249,0.0546802,0.0757
 341,0.0548044,-0.025558,0.0431379,0.0267664,-0.0072141,0.0140442,0.074
 8048,-0.0530314,-0.0225222,-0.043903,-0.063117,0.0467795,0.0494417,0.0
 356937,0.0323106,0.0950876,-0.0463865,-0.0002799,-0.0319535,0.04191,0.
 005618,0.0117089,-0.0018064,-0.0195065,-0.229356,0.0153861,0.0115341,0
 .0208151,0.0095995,-0.0211386,0.0553408,0.1091666,0.0477495,-0.0095645
 ,-0.0841158,0.0807696,-0.0620332,-0.0505202,-0.1122505,0.0294533,-0.14
 32928,0.050048,0.0289594,0.0418756,-0.0851359,0.0108245,-0.0200702,-0.
 0605796,0.0831837,0.0816412,0.0824253,0.0052564,-0.0516567,0.0667671,-
 0.0420448,0.0124982,-0.1046322,-0.1012559,-0.0600363,-0.1139358,-0.006
 8727,-0.0401614,-0.0054719,0.0090531,0.0317573,0.0526321,0.0147456,-0.
 0233603,0.0422248,-0.0895581,0.1300943,-0.0412928,0.0622247,-0.03399,0
 .0624358,-0.0093458,-0.0252545,0.0075753,0.036842,-0.0496765,0.0303859
 ,-0.0744259,-0.134314,0.0125836,0.0122203,0.0048667,0.0804892,-0.09921
 77,0.0889417,-0.0395303,0.1207503,-0.0113775,-0.1369755,-0.0485897,-0.
 0138372,-0.1294087,-0.0284892,-0.0123964,-0.0273634,-0.0185345,0.05922
 03,-0.0630989,0.0013885,-0.0664987,-0.0194535,0.028786,-0.0028516,-0.1
 185056,0.0308228,-0.0585645,-0.0131218,0.0589766,-0.0378792,0.0331141,
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 WE ARE PERHAPS NOT FAR REMOVED FROM THE TIME WHEN WE SHALL BE ABLE TO SUBMIT
 THE BULK OF CHEMICAL PHENOMENA TO CALCULATION.

            -- JOSEPH LOUIS GAY-LUSSAC
               MEMOIRES DE LA SOCIETE D'ARCUEIL, 2, 207 (1808)
 Job cpu time:       0 days  5 hours 38 minutes 50.1 seconds.
 Elapsed time:       0 days  0 hours 28 minutes 19.0 seconds.
 File lengths (MBytes):  RWF=    463 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 21:04:42 2021.
